4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid

C13H16N2O3 — CID 103987736

IUPAC4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CCOC2)nc1C1CC1
InChIInChI=1S/C13H16N2O3/c16-13(17)10-6-14-11(5-8-3-4-18-7-8)15-12(10)9-1-2-9/h6,8-9H,1-5,7H2,(H,16,17)
InChIKeyBKKXMSRTDLJYPA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.63
Rot. Bonds4

About 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid

4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 103987736) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
PubChem CID103987736
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CCOC2)nc1C1CC1
InChIInChI=1S/C13H16N2O3/c16-13(17)10-6-14-11(5-8-3-4-18-7-8)15-12(10)9-1-2-9/h6,8-9H,1-5,7H2,(H,16,17)
InChIKeyBKKXMSRTDLJYPA-UHFFFAOYSA-N
XLogP1.63
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 67087192
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
2-[(3-bromophenyl)sulfanylmethyl]-4-cyclopropylpyrimidine-5-carboxylic acid
CID 66158657
4-methyl-2-(oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CID 83181937
[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987913
6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
CID 175960431
1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 113362286
5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362270
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid (CID 103987736) is 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CC2CCOC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is BKKXMSRTDLJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(17)10-6-14-11(5-8-3-4-18-7-8)15-12(10)9-1-2-9/h6,8-9H,1-5,7H2,(H,16,17).
What are the key properties of 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103987736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).