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Chemical ID: 6635424

Chemical ID:

6635424

Name [?]:

2-(4-amino-6-pentylamino-1,3,5-triazin-2-yl)-4-chloro-phenol

SMILES [?]:

CCCCCNc1nc(nc(n1)N)c2cc(ccc2O)Cl

InChi [?]:

InChI=1/C14H18ClN5O/c1-2-3-4-7-17-14-19-12(18-13(16)20-14)10-8-9(15)5-6-11(10)21/h5-6,8,21H,2-4,7H2,1H3,(H3,16,17,18,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,17,18,5,15,16,14,19,9,11,7,21,13,6,10,8,12,20/rA:21nCCCCCNCNCNCNNCCCCCCOCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s9;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈ClN₅O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1663
Area:	530.938
Solvation:	-2.10715
Coulombic:	-64.8965

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.779
H-Bond Donors:	4
H-Bond Acceptors:	3
XLogP:	2.5
LogP (Chemaxon):	3.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value