3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one

C14H23N3O — CID 113448414

IUPAC3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCCNC(Cn1cnc(C)cc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-3-15-13(12-6-4-5-7-12)9-17-10-16-11(2)8-14(17)18/h8,10,12-13,15H,3-7,9H2,1-2H3
InChIKeyQPDUYCCCAZKCBY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds5

About 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one

3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 113448414) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID113448414
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCCNC(Cn1cnc(C)cc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-3-15-13(12-6-4-5-7-12)9-17-10-16-11(2)8-14(17)18/h8,10,12-13,15H,3-7,9H2,1-2H3
InChIKeyQPDUYCCCAZKCBY-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(4-cyclopentyl-6-oxopyrimidin-1(6H)-yl)ethyl)-3-isopropylurea
CID 71795184
N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
N-cyclopentyl-2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45535221
6-Methyl-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 55088274
3-[2-(Hexylamino)ethyl]-6-methylpyrimidin-4-one
CID 55088367
3-[2-(Cyclopentylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 55236070
2,6-Dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236072
3-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236850
6-Methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 61684049
6-Methyl-3-[(pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 61685918
6-Methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 61686527
3-[3,3-Dimethyl-2-(propylamino)butyl]-6-methylpyrimidin-4-one
CID 61753260

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one (CID 113448414) is 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one is CCNC(Cn1cnc(C)cc1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is QPDUYCCCAZKCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-13(12-6-4-5-7-12)9-17-10-16-11(2)8-14(17)18/h8,10,12-13,15H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 113448414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).