3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one

C16H26N4O — CID 155014706

IUPAC3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one
SMILES[H]/N=C/c1c(NCCC)nc(C)n(CC2CCCCC2)c1=O
InChIInChI=1S/C16H26N4O/c1-3-9-18-15-14(10-17)16(21)20(12(2)19-15)11-13-7-5-4-6-8-13/h10,13,17-18H,3-9,11H2,1-2H3/b17-10+
InChIKeyYEYNGJGDIHXXHW-LICLKQGHSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds6

About 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one

3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one (PubChem CID 155014706) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one
PubChem CID155014706
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one
SMILES[H]/N=C/c1c(NCCC)nc(C)n(CC2CCCCC2)c1=O
InChIInChI=1S/C16H26N4O/c1-3-9-18-15-14(10-17)16(21)20(12(2)19-15)11-13-7-5-4-6-8-13/h10,13,17-18H,3-9,11H2,1-2H3/b17-10+
InChIKeyYEYNGJGDIHXXHW-LICLKQGHSA-N
XLogP2.95
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one (CID 155014706) is 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one is [H]/N=C/c1c(NCCC)nc(C)n(CC2CCCCC2)c1=O.
What is the InChIKey of 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one?
The InChIKey is YEYNGJGDIHXXHW-LICLKQGHSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-9-18-15-14(10-17)16(21)20(12(2)19-15)11-13-7-5-4-6-8-13/h10,13,17-18H,3-9,11H2,1-2H3/b17-10+.
What are the key properties of 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one?
3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-methanimidoyl-2-methyl-6-(propylamino)pyrimidin-4-one is sourced from PubChem (CID 155014706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).