4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid

C6H9N3O2 — CID 152759569

IUPAC4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid
SMILESCC1(C(=O)O)N=C(N)C=CN1
InChIInChI=1S/C6H9N3O2/c1-6(5(10)11)8-3-2-4(7)9-6/h2-3,8H,1H3,(H2,7,9)(H,10,11)
InChIKeyBLTINDPROLPCAE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.74
Rot. Bonds1

About 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid

4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid (PubChem CID 152759569) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid
PubChem CID152759569
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid
SMILESCC1(C(=O)O)N=C(N)C=CN1
InChIInChI=1S/C6H9N3O2/c1-6(5(10)11)8-3-2-4(7)9-6/h2-3,8H,1H3,(H2,7,9)(H,10,11)
InChIKeyBLTINDPROLPCAE-UHFFFAOYSA-N
XLogP-0.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-methyl-1H-pyrimidine-2-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

Related Compounds

2-(4-Amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 57201884
2-methyl-1H-pyrimidine-2-carboxylic acid
CID 142786199
2,4-diamino-1H-pyrimidine-2-carboxylic acid
CID 152754687

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid (CID 152759569) is 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid is CC1(C(=O)O)N=C(N)C=CN1.
What is the InChIKey of 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid?
The InChIKey is BLTINDPROLPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(5(10)11)8-3-2-4(7)9-6/h2-3,8H,1H3,(H2,7,9)(H,10,11).
What are the key properties of 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid?
4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 152759569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).