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

C15H17N3O2 — CID 107553898

IUPAC6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)16-15-17-11(2)9-13(18-15)14(19)20/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyLSRSOLMHABKRCD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds5

About 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 107553898) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
PubChem CID107553898
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)16-15-17-11(2)9-13(18-15)14(19)20/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyLSRSOLMHABKRCD-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

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181314
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide
CID 91638983
6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 107553535

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid (CID 107553898) is 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(C)Cc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is LSRSOLMHABKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(8-12-6-4-3-5-7-12)16-15-17-11(2)9-13(18-15)14(19)20/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-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 6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).