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

C12H19N3O3 — CID 136972236

IUPAC2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-12(5-2,11(17)18)7-13-9-6-10(16)15-8(3)14-9/h6H,4-5,7H2,1-3H3,(H,17,18)(H2,13,14,15,16)
InChIKeyRQHLPIFZZBVVFQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.38
Rot. Bonds6

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

2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid (PubChem CID 136972236) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
PubChem CID136972236
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-12(5-2,11(17)18)7-13-9-6-10(16)15-8(3)14-9/h6H,4-5,7H2,1-3H3,(H,17,18)(H2,13,14,15,16)
InChIKeyRQHLPIFZZBVVFQ-UHFFFAOYSA-N
XLogP1.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137003214
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4,4-dimethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136932111
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid (CID 136972236) is 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid is CCC(CC)(CNc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The InChIKey is RQHLPIFZZBVVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-12(5-2,11(17)18)7-13-9-6-10(16)15-8(3)14-9/h6H,4-5,7H2,1-3H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 136972236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).