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

C15H25N3O — CID 79573462

IUPAC3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC1CCCC1CCn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H25N3O/c1-4-16-14-7-5-6-13(14)8-9-18-12(3)17-11(2)10-15(18)19/h10,13-14,16H,4-9H2,1-3H3
InChIKeyKOQSASWIUBZPGT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds5

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

3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 79573462) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID79573462
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC1CCCC1CCn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H25N3O/c1-4-16-14-7-5-6-13(14)8-9-18-12(3)17-11(2)10-15(18)19/h10,13-14,16H,4-9H2,1-3H3
InChIKeyKOQSASWIUBZPGT-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one (CID 79573462) is 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one is CCNC1CCCC1CCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is KOQSASWIUBZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-14-7-5-6-13(14)8-9-18-12(3)17-11(2)10-15(18)19/h10,13-14,16H,4-9H2,1-3H3.
What are the key properties of 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 79573462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).