(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid

C6H10N2O2 — CID 137208342

IUPAC(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)CCN1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-N
MW142.16 g/mol
LogP-0.15
Rot. Bonds1

About (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid

(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid (PubChem CID 137208342) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
PubChem CID137208342
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)CCN1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-N
XLogP-0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic 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 (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid?
The IUPAC name of (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid (CID 137208342) is (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid is CC1=N[C@H](C(=O)O)CCN1.
What is the InChIKey of (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid?
The InChIKey is WQXNXVUDBPYKBA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1.
What are the key properties of (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid?
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid is sourced from PubChem (CID 137208342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).