2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C17H25N3O — CID 60671720

IUPAC2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-13(2)7-6-8-14(3)18-12-15-11-17(21)20-10-5-4-9-16(20)19-15/h4-5,9-11,13-14,18H,6-8,12H2,1-3H3
InChIKeyOJOZJNHCGNPJAR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.00
Rot. Bonds7

About 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671720) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671720
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCCC(C)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-13(2)7-6-8-14(3)18-12-15-11-17(21)20-10-5-4-9-16(20)19-15/h4-5,9-11,13-14,18H,6-8,12H2,1-3H3
InChIKeyOJOZJNHCGNPJAR-UHFFFAOYSA-N
XLogP3.00
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671720) is 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)CCCC(C)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJOZJNHCGNPJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)7-6-8-14(3)18-12-15-11-17(21)20-10-5-4-9-16(20)19-15/h4-5,9-11,13-14,18H,6-8,12H2,1-3H3.
What are the key properties of 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylheptan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).