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

C10H11BrN2O3 — CID 106512153

IUPAC5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCO2)ncc1Br
InChIInChI=1S/C10H11BrN2O3/c11-7-5-12-8(13-9(7)10(14)15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,14,15)
InChIKeyATZIIIJPDXMHIZ-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.66
Rot. Bonds3

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

5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid (PubChem CID 106512153) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
PubChem CID106512153
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCO2)ncc1Br
InChIInChI=1S/C10H11BrN2O3/c11-7-5-12-8(13-9(7)10(14)15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,14,15)
InChIKeyATZIIIJPDXMHIZ-UHFFFAOYSA-N
XLogP1.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 61269964
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
5-[[5-bromo-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-hydroxybenzoic acid
CID 159927242
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid (CID 106512153) is 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(CC2CCCO2)ncc1Br.
What is the InChIKey of 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
The InChIKey is ATZIIIJPDXMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-7-5-12-8(13-9(7)10(14)15)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,14,15).
What are the key properties of 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid?
5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid has a molecular weight of 287.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).