4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid

C15H17N3O2 — CID 83181314

IUPAC4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC(C)Cc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)17-15-16-9-13(14(19)20)11(2)18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyCOMDEPTZTSXWGP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds5

About 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 83181314) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID83181314
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC(C)Cc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)17-15-16-9-13(14(19)20)11(2)18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyCOMDEPTZTSXWGP-UHFFFAOYSA-N
XLogP2.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid (CID 83181314) is 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid is Cc1nc(NC(C)Cc2ccccc2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is COMDEPTZTSXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)17-15-16-9-13(14(19)20)11(2)18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).