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Chemical ID: 6713900

Chemical ID:

6713900

Name [?]:

5-(m-tolylamino)-1H-pyrimidine-2,4-dione

SMILES [?]:

Cc1cccc(c1)Nc2c[nH]c(=O)[nH]c2=O

InChi [?]:

InChI=1/C11H11N3O2/c1-7-3-2-4-8(5-7)13-9-6-12-11(16)14-10(9)15/h2-6,13H,1H3,(H2,12,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,7,10,2,6,9,15,12,11,8,14,16,13/rA:16nCCCCCCCNCCNCONCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s12;s9s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₁N₃O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.95948
Area:	382.201
Solvation:	-2.59554
Coulombic:	-54.7552

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	217.224
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.53
LogP (Chemaxon):	1.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value