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

C13H19N3O3 — CID 136958682

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-7(2)5-9(13(18)19)14-10-6-11(17)16-12(15-10)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyWIOMLWULPCJJKM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds6

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 136958682) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID136958682
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-7(2)5-9(13(18)19)14-10-6-11(17)16-12(15-10)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyWIOMLWULPCJJKM-UHFFFAOYSA-N
XLogP1.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 122049081
(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 122050251
4-Methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 122062621
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689827
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792241
2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136857997
4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136857999
2-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858005
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 136958682) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid is CC(C)CC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is WIOMLWULPCJJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)5-9(13(18)19)14-10-6-11(17)16-12(15-10)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 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]-4-methylpentanoic acid is sourced from PubChem (CID 136958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).