(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate

C8H10N3O3- — CID 135832719

IUPAC(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
SMILESCc1nc(N)[nH]c(=O)c1[C@H](C)C(=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-3(7(13)14)5-4(2)10-8(9)11-6(5)12/h3H,1-2H3,(H,13,14)(H3,9,10,11,12)/p-1/t3-/m0/s1
InChIKeyUNLZKIKEQJVZEJ-VKHMYHEASA-M
MW196.19 g/mol
LogP-1.49
Rot. Bonds2

About (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate

(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate (PubChem CID 135832719) has the molecular formula C8H10N3O3- and a molecular weight of 196.19 g/mol. Its IUPAC name is (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Name(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
PubChem CID135832719
Molecular FormulaC8H10N3O3-
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
SMILESCc1nc(N)[nH]c(=O)c1[C@H](C)C(=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-3(7(13)14)5-4(2)10-8(9)11-6(5)12/h3H,1-2H3,(H,13,14)(H3,9,10,11,12)/p-1/t3-/m0/s1
InChIKeyUNLZKIKEQJVZEJ-VKHMYHEASA-M
XLogP-1.49
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate 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 (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
CID 135491160
2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one
CID 145259497
2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 175471479
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide
CID 166684084
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
4-[(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 135508279
1-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propan-2-yl benzoate
CID 174627764
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 136713555

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The IUPAC name of (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate (CID 135832719) is (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate.
What is the SMILES notation for (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The canonical SMILES for (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate is Cc1nc(N)[nH]c(=O)c1[C@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The InChIKey is UNLZKIKEQJVZEJ-VKHMYHEASA-M. The full InChI is InChI=1S/C8H11N3O3/c1-3(7(13)14)5-4(2)10-8(9)11-6(5)12/h3H,1-2H3,(H,13,14)(H3,9,10,11,12)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate has a molecular weight of 196.19 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate is sourced from PubChem (CID 135832719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).