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Chemical ID: 4223380

Chemical ID:

4223380

Name [?]:

1-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)pyrimidine-2,4-dione

SMILES [?]:

Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O

InChi [?]:

InChI=1/C10H10N4O2S/c1-6-5-7(12-9(11-6)17-2)14-4-3-8(15)13-10(14)16/h3-5H,1-2H3,(H,13,15,16)

InChi Info:

AuxInfo=1/1/N:1,9,12,11,3,2,4,13,6,16,7,5,15,10,14,17,8/rA:17nCCCCNCNSCNCCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s4;s10;d11;s12;d13;s13;s10s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀N₄O₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.54121
Area:	422.679
Solvation:	-3.02577
Coulombic:	-48.1519

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	250.278
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	0.41
LogP (Chemaxon):	0.29

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