1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

C12H17N3O2 — CID 81165130

IUPAC1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCc1cc(NC2(C(=O)O)CCC2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-3-9-7-10(14-8(2)13-9)15-12(11(16)17)5-4-6-12/h7H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBBXXUWMOARZHFQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.77
Rot. Bonds4

About 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165130) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165130
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCc1cc(NC2(C(=O)O)CCC2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-3-9-7-10(14-8(2)13-9)15-12(11(16)17)5-4-6-12/h7H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBBXXUWMOARZHFQ-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-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

1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 103353838
1-[(2,6-dimethylpyrimidin-4-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292857
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
1-[(4-cyano-6-methyl-2-pyridinyl)amino]cyclopropane-1-carboxylic acid
CID 114765459
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 115457082
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133461626
1-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81164237
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
4-ethyl-1-[(2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 55112955
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (CID 81165130) is 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is CCc1cc(NC2(C(=O)O)CCC2)nc(C)n1.
What is the InChIKey of 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is BBXXUWMOARZHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-9-7-10(14-8(2)13-9)15-12(11(16)17)5-4-6-12/h7H,3-6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).