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Chemical ID: 6292876

Chemical ID:

6292876

Name [?]:

2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)-acetamide

SMILES [?]:

Cc1cc(cc(c1)NC(=O)CSc2nc(cc(n2)O)N)C

InChi [?]:

InChI=1/C14H16N4O2S/c1-8-3-9(2)5-10(4-8)16-13(20)7-21-14-17-11(15)6-12(19)18-14/h3-6H,7H2,1-2H3,(H,16,20)(H3,15,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,21,3,7,5,16,11,2,4,6,15,17,9,13,20,8,14,18,19,10,12/E:(1,2)(4,5)(8,9)/rA:21nCCCCCCCNCOCSCNCCCNONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₄O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.1021
Area:	513.824
Solvation:	-3.7435
Coulombic:	-63.8331

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	304.369
H-Bond Donors:	4
H-Bond Acceptors:	4
XLogP:	2.14
LogP (Chemaxon):	3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value