2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one

C14H23N3O — CID 79573712

IUPAC2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one
SMILESCNC1CCCC1CCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H23N3O/c1-10-9-14(18)17(11(2)16-10)8-7-12-5-4-6-13(12)15-3/h9,12-13,15H,4-8H2,1-3H3
InChIKeyZDVFUEFUNVXBHD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.64
Rot. Bonds4

About 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one (PubChem CID 79573712) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one
PubChem CID79573712
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one
SMILESCNC1CCCC1CCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H23N3O/c1-10-9-14(18)17(11(2)16-10)8-7-12-5-4-6-13(12)15-3/h9,12-13,15H,4-8H2,1-3H3
InChIKeyZDVFUEFUNVXBHD-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one (CID 79573712) is 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one is CNC1CCCC1CCn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one?
The InChIKey is ZDVFUEFUNVXBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-9-14(18)17(11(2)16-10)8-7-12-5-4-6-13(12)15-3/h9,12-13,15H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 79573712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).