2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid

C15H23N3O3 — CID 136857997

IUPAC2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(2,3)7-10(14(20)21)8-16-11-6-12(19)18-13(17-11)9-4-5-9/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyUQVXDCOVLDEVMH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 136857997) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID136857997
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(2,3)7-10(14(20)21)8-16-11-6-12(19)18-13(17-11)9-4-5-9/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyUQVXDCOVLDEVMH-UHFFFAOYSA-N
XLogP2.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic 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 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid (CID 136857997) is 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNc1cc(=O)[nH]c(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is UQVXDCOVLDEVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)7-10(14(20)21)8-16-11-6-12(19)18-13(17-11)9-4-5-9/h6,9-10H,4-5,7-8H2,1-3H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 136857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).