2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide

C20H25N3O — CID 90113033

IUPAC2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide
SMILESCCc1cc(Cc2ccc(CC(N)=O)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C20H25N3O/c1-2-17-13-18(23-20(22-17)16-5-3-4-6-16)11-14-7-9-15(10-8-14)12-19(21)24/h7-10,13,16H,2-6,11-12H2,1H3,(H2,21,24)
InChIKeyOLGQWNBUSHCKNI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide

2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide (PubChem CID 90113033) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide
PubChem CID90113033
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide
SMILESCCc1cc(Cc2ccc(CC(N)=O)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C20H25N3O/c1-2-17-13-18(23-20(22-17)16-5-3-4-6-16)11-14-7-9-15(10-8-14)12-19(21)24/h7-10,13,16H,2-6,11-12H2,1H3,(H2,21,24)
InChIKeyOLGQWNBUSHCKNI-UHFFFAOYSA-N
XLogP3.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide (CID 90113033) is 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide is CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(C2CCCC2)n1.
What is the InChIKey of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide?
The InChIKey is OLGQWNBUSHCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-17-13-18(23-20(22-17)16-5-3-4-6-16)11-14-7-9-15(10-8-14)12-19(21)24/h7-10,13,16H,2-6,11-12H2,1H3,(H2,21,24).
What are the key properties of 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide?
2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyl-6-ethylpyrimidin-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 90113033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).