4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid

C11H15N3O2 — CID 115148774

IUPAC4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)C2CCC2)n1
InChIInChI=1S/C11H15N3O2/c1-7-12-6-9(11(15)16)10(13-7)14(2)8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMNXYEOTUVKEXRR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.47
Rot. Bonds3

About 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid

4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 115148774) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID115148774
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)C2CCC2)n1
InChIInChI=1S/C11H15N3O2/c1-7-12-6-9(11(15)16)10(13-7)14(2)8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMNXYEOTUVKEXRR-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034377
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
4-[3,3-dimethylbutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148828
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214096
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
CID 43265115

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid (CID 115148774) is 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(N(C)C2CCC2)n1.
What is the InChIKey of 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is MNXYEOTUVKEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-12-6-9(11(15)16)10(13-7)14(2)8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid?
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).