2-cyclobutylpyrimidine-4-carboxylic acid

C9H10N2O2 — CID 64985955

IUPAC2-cyclobutylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCC2)n1
InChIInChI=1S/C9H10N2O2/c12-9(13)7-4-5-10-8(11-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)
InChIKeyCPGVWHKOGFNSPB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.44
Rot. Bonds2

About 2-cyclobutylpyrimidine-4-carboxylic acid

2-cyclobutylpyrimidine-4-carboxylic acid (PubChem CID 64985955) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-cyclobutylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutylpyrimidine-4-carboxylic acid
PubChem CID64985955
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-cyclobutylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCC2)n1
InChIInChI=1S/C9H10N2O2/c12-9(13)7-4-5-10-8(11-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)
InChIKeyCPGVWHKOGFNSPB-UHFFFAOYSA-N
XLogP1.44
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutylpyrimidine-4-carboxamide
CID 67177134
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
2-(3-ethylcyclopentyl)pyrimidine-4-carboxylic acid
CID 65405640
(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 125149419
chloro 2-cyclopropylpyrimidine-4-carboxylate
CID 130362648
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 117212993
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
CID 111333190
2-(6,6-dichlorocyclohexa-2,4-dien-1-yl)pyrimidine-4-carboxylic acid
CID 175550394
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclobutylpyrimidine-4-carboxylic acid (CID 64985955) is 2-cyclobutylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclobutylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclobutylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C2CCC2)n1.
What is the InChIKey of 2-cyclobutylpyrimidine-4-carboxylic acid?
The InChIKey is CPGVWHKOGFNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)7-4-5-10-8(11-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13).
What are the key properties of 2-cyclobutylpyrimidine-4-carboxylic acid?
2-cyclobutylpyrimidine-4-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 64985955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).