2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide

C18H16N4O — CID 54850579

IUPAC2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(-c3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C18H16N4O/c1-11-15(17(19)23)16(22-18(20)21-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyVFVMJOXQFFWOCU-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.80
Rot. Bonds3

About 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide

2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide (PubChem CID 54850579) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
PubChem CID54850579
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(-c3ccccc3)cc2)c1C(N)=O
InChIInChI=1S/C18H16N4O/c1-11-15(17(19)23)16(22-18(20)21-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyVFVMJOXQFFWOCU-UHFFFAOYSA-N
XLogP2.80
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide (CID 54850579) is 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide is Cc1nc(N)nc(-c2ccc(-c3ccccc3)cc2)c1C(N)=O.
What is the InChIKey of 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide?
The InChIKey is VFVMJOXQFFWOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-15(17(19)23)16(22-18(20)21-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide?
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).