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

C14H23N3O — CID 62563250

IUPAC6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC2CCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-3-5-13(6-4-11)15-7-8-17-10-16-12(2)9-14(17)18/h9-11,13,15H,3-8H2,1-2H3
InChIKeyQJASUBQCGJKJHO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

About 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one

6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (PubChem CID 62563250) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
PubChem CID62563250
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC2CCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-3-5-13(6-4-11)15-7-8-17-10-16-12(2)9-14(17)18/h9-11,13,15H,3-8H2,1-2H3
InChIKeyQJASUBQCGJKJHO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one (CID 62563250) is 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC2CCC(C)CC2)cn1.
What is the InChIKey of 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
The InChIKey is QJASUBQCGJKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-3-5-13(6-4-11)15-7-8-17-10-16-12(2)9-14(17)18/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one?
6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 62563250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).