2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid

C14H20N2O3 — CID 82666907

IUPAC2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid
SMILESCOc1ncnc(C(C(=O)O)C2CCCCC2)c1C
InChIInChI=1S/C14H20N2O3/c1-9-12(15-8-16-13(9)19-2)11(14(17)18)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyGNDHREOAEBTAET-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds4

About 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid

2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid (PubChem CID 82666907) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid
PubChem CID82666907
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid
SMILESCOc1ncnc(C(C(=O)O)C2CCCCC2)c1C
InChIInChI=1S/C14H20N2O3/c1-9-12(15-8-16-13(9)19-2)11(14(17)18)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyGNDHREOAEBTAET-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-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
CID 82666909
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
2-(6-aminopyrimidin-4-yl)-2-cyclopentylacetic acid
CID 83857228
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526307
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
4-methoxy-5-methyl-6-pyrrolidin-2-ylpyrimidine
CID 82656761
[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640271
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66331952
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid (CID 82666907) is 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid is COc1ncnc(C(C(=O)O)C2CCCCC2)c1C.
What is the InChIKey of 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid?
The InChIKey is GNDHREOAEBTAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-12(15-8-16-13(9)19-2)11(14(17)18)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclohexyl-2-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid?
2-cyclohexyl-2-(6-methoxy-5-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-(6-methoxy-5-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 82666907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).