2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid

C14H20N2O3 — CID 82666909

IUPAC2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
SMILESCOc1cnc(C)nc1C(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-9-15-8-11(19-2)13(16-9)12(14(17)18)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyBWKUUAICRGRNNY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds4

About 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid

2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid (PubChem CID 82666909) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
PubChem CID82666909
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
SMILESCOc1cnc(C)nc1C(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-9-15-8-11(19-2)13(16-9)12(14(17)18)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyBWKUUAICRGRNNY-UHFFFAOYSA-N
XLogP2.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid
CID 82666907
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-5-methylphenyl]-2-cyclohexylacetic acid
CID 174084147
5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
(2S)-2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]-2-cyclohexylacetic acid
CID 162745436
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid
CID 83858468
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid (CID 82666909) is 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid is COc1cnc(C)nc1C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid?
The InChIKey is BWKUUAICRGRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-15-8-11(19-2)13(16-9)12(14(17)18)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid?
2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 82666909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).