4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one

C10H11N5O — CID 13111420

IUPAC4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one
SMILESCc1ccc(-n2c(N)nc(N)nc2=O)cc1
InChIInChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)15-9(12)13-8(11)14-10(15)16/h2-5H,1H3,(H4,11,12,13,14,16)
InChIKeyLVTBHSVVLWXSGY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.10
Rot. Bonds1

About 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one

4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one (PubChem CID 13111420) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one
PubChem CID13111420
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one
SMILESCc1ccc(-n2c(N)nc(N)nc2=O)cc1
InChIInChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)15-9(12)13-8(11)14-10(15)16/h2-5H,1H3,(H4,11,12,13,14,16)
InChIKeyLVTBHSVVLWXSGY-UHFFFAOYSA-N
XLogP0.10
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
2-amino-1-(4-methylphenyl)-4-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
CID 11807823
2-amino-3-(4-methylphenyl)benzimidazol-4-ol
CID 84799605
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
7-chloro-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 114286165
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
CID 19754215
2-(4-methylphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine
CID 66490868
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
2,8,14,20,26,32-hexakis(4-methylphenyl)-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
CID 101355765
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one?
The IUPAC name of 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one (CID 13111420) is 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one is Cc1ccc(-n2c(N)nc(N)nc2=O)cc1.
What is the InChIKey of 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one?
The InChIKey is LVTBHSVVLWXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)15-9(12)13-8(11)14-10(15)16/h2-5H,1H3,(H4,11,12,13,14,16).
What are the key properties of 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one?
4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one has a molecular weight of 217.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1-(4-methylphenyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 13111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).