1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one

C16H21N3O — CID 146487863

IUPAC1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one
SMILESCC(CCC(C)c1ccc(=O)n(C)c1)c1cncnc1
InChIInChI=1S/C16H21N3O/c1-12(14-6-7-16(20)19(3)10-14)4-5-13(2)15-8-17-11-18-9-15/h6-13H,4-5H2,1-3H3
InChIKeyHSSIPDFSKJEMER-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds5

About 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one

1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one (PubChem CID 146487863) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one
PubChem CID146487863
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one
SMILESCC(CCC(C)c1ccc(=O)n(C)c1)c1cncnc1
InChIInChI=1S/C16H21N3O/c1-12(14-6-7-16(20)19(3)10-14)4-5-13(2)15-8-17-11-18-9-15/h6-13H,4-5H2,1-3H3
InChIKeyHSSIPDFSKJEMER-UHFFFAOYSA-N
XLogP2.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one (CID 146487863) is 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one is CC(CCC(C)c1ccc(=O)n(C)c1)c1cncnc1.
What is the InChIKey of 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one?
The InChIKey is HSSIPDFSKJEMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(14-6-7-16(20)19(3)10-14)4-5-13(2)15-8-17-11-18-9-15/h6-13H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one?
1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-pyrimidin-5-ylhexan-2-yl)pyridin-2-one is sourced from PubChem (CID 146487863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).