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Chemical ID: 4193729

Chemical ID:

4193729

Name [?]:

6-(3,5-dimethylphenyl)amino-1,3-dimethyl-pyrimidine-2,4-dione

SMILES [?]:

Cc1cc(cc(c1)Nc2cc(=O)n(c(=O)n2C)C)C

InChi [?]:

InChI=1/C14H17N3O2/c1-9-5-10(2)7-11(6-9)15-12-8-13(18)17(4)14(19)16(12)3/h5-8,15H,1-4H3

InChi Info:

AuxInfo=1/0/N:1,19,17,18,3,7,5,10,2,4,6,9,11,14,8,16,13,12,15/E:(1,2)(6,7)(9,10)/rA:19nCCCCCCCNCCCONCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;s13;d14;s9s14;s16;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.09721
Area:	446.613
Solvation:	-2.06812
Coulombic:	-45.793

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	259.304
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.99
LogP (Chemaxon):	2.37

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