2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H23N3O — CID 60672190

IUPAC2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-12(2)7-8-13(3)17-11-14-10-16(20)19-9-5-4-6-15(19)18-14/h4-6,9-10,12-13,17H,7-8,11H2,1-3H3
InChIKeyOOFUQKSPWWYFTJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds6

About 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60672190) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60672190
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O/c1-12(2)7-8-13(3)17-11-14-10-16(20)19-9-5-4-6-15(19)18-14/h4-6,9-10,12-13,17H,7-8,11H2,1-3H3
InChIKeyOOFUQKSPWWYFTJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60672190) is 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)CCC(C)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OOFUQKSPWWYFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)7-8-13(3)17-11-14-10-16(20)19-9-5-4-6-15(19)18-14/h4-6,9-10,12-13,17H,7-8,11H2,1-3H3.
What are the key properties of 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylhexan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60672190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).