3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one

C13H21N3O — CID 63793852

IUPAC3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCC1CCCCC1NCCn1cnccc1=O
InChIInChI=1S/C13H21N3O/c1-11-4-2-3-5-12(11)15-8-9-16-10-14-7-6-13(16)17/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyUQTGVCRRWRRQGM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one

3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (PubChem CID 63793852) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
PubChem CID63793852
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCC1CCCCC1NCCn1cnccc1=O
InChIInChI=1S/C13H21N3O/c1-11-4-2-3-5-12(11)15-8-9-16-10-14-7-6-13(16)17/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyUQTGVCRRWRRQGM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (CID 63793852) is 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is CC1CCCCC1NCCn1cnccc1=O.
What is the InChIKey of 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The InChIKey is UQTGVCRRWRRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-2-3-5-12(11)15-8-9-16-10-14-7-6-13(16)17/h6-7,10-12,15H,2-5,8-9H2,1H3.
What are the key properties of 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 63793852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).