2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide

C12H12N4O — CID 1487911

IUPAC2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O/c1-8-10(7-14-12(13)15-8)11(17)16-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyHZJRNNVBBUEJPR-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide

2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 1487911) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID1487911
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O/c1-8-10(7-14-12(13)15-8)11(17)16-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyHZJRNNVBBUEJPR-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.62
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-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 1487911) is 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is HZJRNNVBBUEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-10(7-14-12(13)15-8)11(17)16-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 1487911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).