6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid

C9H12N4O2 — CID 131142279

IUPAC6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
SMILESCN1CC(Nc2cc(C(=O)O)ncn2)C1
InChIInChI=1S/C9H12N4O2/c1-13-3-6(4-13)12-8-2-7(9(14)15)10-5-11-8/h2,5-6H,3-4H2,1H3,(H,14,15)(H,10,11,12)
InChIKeyZMUHIVDAMSUKQM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.10
Rot. Bonds3

About 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid

6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid (PubChem CID 131142279) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
PubChem CID131142279
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
SMILESCN1CC(Nc2cc(C(=O)O)ncn2)C1
InChIInChI=1S/C9H12N4O2/c1-13-3-6(4-13)12-8-2-7(9(14)15)10-5-11-8/h2,5-6H,3-4H2,1H3,(H,14,15)(H,10,11,12)
InChIKeyZMUHIVDAMSUKQM-UHFFFAOYSA-N
XLogP-0.10
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
CID 118553740
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 166070841
(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate
CID 175334926
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341660

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid (CID 131142279) is 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid is CN1CC(Nc2cc(C(=O)O)ncn2)C1.
What is the InChIKey of 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is ZMUHIVDAMSUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-3-6(4-13)12-8-2-7(9(14)15)10-5-11-8/h2,5-6H,3-4H2,1H3,(H,14,15)(H,10,11,12).
What are the key properties of 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid?
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 131142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).