6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one

C17H16N4O — CID 10171691

IUPAC6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one
SMILESCc1ccc(Nc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-12-7-9-13(10-8-12)19-17-20-16(22)11-15(18)21(17)14-5-3-2-4-6-14/h2-11H,18H2,1H3,(H,19,20,22)
InChIKeyYGRATRGCKQBJBZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds3

About 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one

6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one (PubChem CID 10171691) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one
PubChem CID10171691
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one
SMILESCc1ccc(Nc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-12-7-9-13(10-8-12)19-17-20-16(22)11-15(18)21(17)14-5-3-2-4-6-14/h2-11H,18H2,1H3,(H,19,20,22)
InChIKeyYGRATRGCKQBJBZ-UHFFFAOYSA-N
XLogP2.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one (CID 10171691) is 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one is Cc1ccc(Nc2nc(=O)cc(N)n2-c2ccccc2)cc1.
What is the InChIKey of 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one?
The InChIKey is YGRATRGCKQBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-7-9-13(10-8-12)19-17-20-16(22)11-15(18)21(17)14-5-3-2-4-6-14/h2-11H,18H2,1H3,(H,19,20,22).
What are the key properties of 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one?
6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one is sourced from PubChem (CID 10171691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).