4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid

C12H10N4O2 — CID 63987516

IUPAC4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncn2)nc1C1CC1
InChIInChI=1S/C12H10N4O2/c17-12(18)8-5-14-11(9-3-4-13-6-15-9)16-10(8)7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyDAOXRVBJDYSBGA-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.51
Rot. Bonds3

About 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid

4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 63987516) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
PubChem CID63987516
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncn2)nc1C1CC1
InChIInChI=1S/C12H10N4O2/c17-12(18)8-5-14-11(9-3-4-13-6-15-9)16-10(8)7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyDAOXRVBJDYSBGA-UHFFFAOYSA-N
XLogP1.51
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
CID 63987726
5-cyclopropyl-2-pyrimidin-4-ylbenzoic acid
CID 155343930
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 107923916
4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
CID 83841869
5-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
CID 96624809
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385131
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 116775134
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 65140931
4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 103987736
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 83908635
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (CID 63987516) is 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccncn2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is DAOXRVBJDYSBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(18)8-5-14-11(9-3-4-13-6-15-9)16-10(8)7-1-2-7/h3-7H,1-2H2,(H,17,18).
What are the key properties of 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 63987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).