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

C12H20N4O4 — CID 158543404

IUPAC(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@@H](C(=O)O)N1.CC1=NCC[C@@H](C(=O)O)N1
InChIInChI=1S/2C6H10N2O2/c2*1-4-7-3-2-5(8-4)6(9)10/h2*5H,2-3H2,1H3,(H,7,8)(H,9,10)/t2*5-/m00/s1
InChIKeyHOUQWTJUVFHYRK-ZLELNMGESA-N
MW284.32 g/mol
LogP-0.30
Rot. Bonds2

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

(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (PubChem CID 158543404) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
PubChem CID158543404
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@@H](C(=O)O)N1.CC1=NCC[C@@H](C(=O)O)N1
InChIInChI=1S/2C6H10N2O2/c2*1-4-7-3-2-5(8-4)6(9)10/h2*5H,2-3H2,1H3,(H,7,8)(H,9,10)/t2*5-/m00/s1
InChIKeyHOUQWTJUVFHYRK-ZLELNMGESA-N
XLogP-0.30
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-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 (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The IUPAC name of (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CID 158543404) is (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
What is the SMILES notation for (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The canonical SMILES for (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is CC1=NCC[C@@H](C(=O)O)N1.CC1=NCC[C@@H](C(=O)O)N1.
What is the InChIKey of (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The InChIKey is HOUQWTJUVFHYRK-ZLELNMGESA-N. The full InChI is InChI=1S/2C6H10N2O2/c2*1-4-7-3-2-5(8-4)6(9)10/h2*5H,2-3H2,1H3,(H,7,8)(H,9,10)/t2*5-/m00/s1.
What are the key properties of (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of -0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is sourced from PubChem (CID 158543404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).