methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate

C20H24N2O2 — CID 118048444

IUPACmethyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cc2cc(C)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-11-18(22-20(21-14)17-5-3-4-6-17)12-15-7-9-16(10-8-15)13-19(23)24-2/h7-11,17H,3-6,12-13H2,1-2H3
InChIKeyFHIVERZJENQQJU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.75
Rot. Bonds5

About methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate

methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate (PubChem CID 118048444) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate
PubChem CID118048444
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cc2cc(C)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-11-18(22-20(21-14)17-5-3-4-6-17)12-15-7-9-16(10-8-15)13-19(23)24-2/h7-11,17H,3-6,12-13H2,1-2H3
InChIKeyFHIVERZJENQQJU-UHFFFAOYSA-N
XLogP3.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate (CID 118048444) is methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate is COC(=O)Cc1ccc(Cc2cc(C)nc(C3CCCC3)n2)cc1.
What is the InChIKey of methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate?
The InChIKey is FHIVERZJENQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-11-18(22-20(21-14)17-5-3-4-6-17)12-15-7-9-16(10-8-15)13-19(23)24-2/h7-11,17H,3-6,12-13H2,1-2H3.
What are the key properties of methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate?
methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate has a molecular weight of 324.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-cyclopentyl-6-methylpyrimidin-4-yl)methyl]phenyl]acetate is sourced from PubChem (CID 118048444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).