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

C10H15N3O3 — CID 136958466

IUPAC2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-10(2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYAQNEZXPBITSIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.83
Rot. Bonds5

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

2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958466) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958466
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-10(2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYAQNEZXPBITSIH-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958432
2-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958439
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958468
2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958471
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958599
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958606
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958610
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958670
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958466) is 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is YAQNEZXPBITSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-10(2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).