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

C13H21N3O — CID 113448413

IUPAC3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCNC(Cn1cnc(C)cc1=O)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-7-13(17)16(9-15-10)8-12(14-2)11-5-3-4-6-11/h7,9,11-12,14H,3-6,8H2,1-2H3
InChIKeyULVLDOTVIQUVKR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds4

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

3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 113448413) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID113448413
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCNC(Cn1cnc(C)cc1=O)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-7-13(17)16(9-15-10)8-12(14-2)11-5-3-4-6-11/h7,9,11-12,14H,3-6,8H2,1-2H3
InChIKeyULVLDOTVIQUVKR-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
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-(methylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one (CID 113448413) is 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one is CNC(Cn1cnc(C)cc1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is ULVLDOTVIQUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-13(17)16(9-15-10)8-12(14-2)11-5-3-4-6-11/h7,9,11-12,14H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 113448413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).