1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid

C11H14N2O3 — CID 141325331

IUPAC1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(OCC2(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C11H14N2O3/c1-7-9(5-12-8(2)13-7)16-6-11(3-4-11)10(14)15/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyNFEUVPNCSFUDJT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.34
Rot. Bonds4

About 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid

1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 141325331) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID141325331
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(OCC2(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C11H14N2O3/c1-7-9(5-12-8(2)13-7)16-6-11(3-4-11)10(14)15/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyNFEUVPNCSFUDJT-UHFFFAOYSA-N
XLogP1.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
CID 67473848
1-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 146940341
4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
CID 115055251
1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
CID 84712843
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
1-[(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropyl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 147426029
[2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropyl]methanol
CID 67281799
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 67473935
ethane;5-methoxy-2,4-dimethylpyrimidine
CID 145013218
1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 166243260
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 67473920

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid (CID 141325331) is 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid is Cc1ncc(OCC2(C(=O)O)CC2)c(C)n1.
What is the InChIKey of 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is NFEUVPNCSFUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(5-12-8(2)13-7)16-6-11(3-4-11)10(14)15/h5H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid?
1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 141325331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).