4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

C14H23N3O — CID 135978218

IUPAC4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-15-9-12-8-13(18)17-14(16-12)11-6-4-5-10(2)7-11/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyFEQVCDQELBZJID-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.17
Rot. Bonds4

About 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 135978218) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID135978218
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-15-9-12-8-13(18)17-14(16-12)11-6-4-5-10(2)7-11/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyFEQVCDQELBZJID-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 135978218) is 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1.
What is the InChIKey of 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is FEQVCDQELBZJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-9-12-8-13(18)17-14(16-12)11-6-4-5-10(2)7-11/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).