8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C24H22N4O — CID 10177953

IUPAC8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O/c1-17-10-13-27-23(29)15-22(20-8-11-25-12-9-20)26-24(27)28(17)16-18-6-7-19-4-2-3-5-21(19)14-18/h2-9,11-12,14-15,17H,10,13,16H2,1H3
InChIKeyBTGAHQHARQHZIP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.26
Rot. Bonds3

About 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10177953) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID10177953
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(-c3ccncc3)cc2=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O/c1-17-10-13-27-23(29)15-22(20-8-11-25-12-9-20)26-24(27)28(17)16-18-6-7-19-4-2-3-5-21(19)14-18/h2-9,11-12,14-15,17H,10,13,16H2,1H3
InChIKeyBTGAHQHARQHZIP-UHFFFAOYSA-N
XLogP4.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 10177953) is 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1CCn2c(nc(-c3ccncc3)cc2=O)N1Cc1ccc2ccccc2c1.
What is the InChIKey of 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BTGAHQHARQHZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-10-13-27-23(29)15-22(20-8-11-25-12-9-20)26-24(27)28(17)16-18-6-7-19-4-2-3-5-21(19)14-18/h2-9,11-12,14-15,17H,10,13,16H2,1H3.
What are the key properties of 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10177953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).