5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid

C11H14N2O3 — CID 165447270

IUPAC5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(CC2CCCO2)nc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-6-12-9(13-10(7)11(14)15)5-8-3-2-4-16-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyRCCZLDCYEBQJOM-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.20
Rot. Bonds3

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

5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid (PubChem CID 165447270) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
PubChem CID165447270
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(CC2CCCO2)nc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-6-12-9(13-10(7)11(14)15)5-8-3-2-4-16-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyRCCZLDCYEBQJOM-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 106512153
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 61269964
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
CID 117127697
5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088661
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid (CID 165447270) is 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid is Cc1cnc(CC2CCCO2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The InChIKey is RCCZLDCYEBQJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-12-9(13-10(7)11(14)15)5-8-3-2-4-16-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).