2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C23H27N3O — CID 8915437

IUPAC2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n12
InChIInChI=1S/C23H27N3O/c1-16(2)19-9-7-18(8-10-19)14-25(21-11-12-21)15-20-13-23(27)26-17(3)5-4-6-22(26)24-20/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChIKeyBLDOVDNGAMUGIB-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds6

About 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8915437) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8915437
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n12
InChIInChI=1S/C23H27N3O/c1-16(2)19-9-7-18(8-10-19)14-25(21-11-12-21)15-20-13-23(27)26-17(3)5-4-6-22(26)24-20/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChIKeyBLDOVDNGAMUGIB-UHFFFAOYSA-N
XLogP4.29
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8915437) is 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n12.
What is the InChIKey of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BLDOVDNGAMUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16(2)19-9-7-18(8-10-19)14-25(21-11-12-21)15-20-13-23(27)26-17(3)5-4-6-22(26)24-20/h4-10,13,16,21H,11-12,14-15H2,1-3H3.
What are the key properties of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8915437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).