7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C17H22N4O — CID 66492499

IUPAC7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCCN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C17H22N4O/c1-4-10-19-11-20(15-8-6-5-7-9-15)17-18-14(3)13(2)16(22)21(17)12-19/h5-9H,4,10-12H2,1-3H3
InChIKeyKSERMLQJMWJCRF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds3

About 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492499) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492499
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCCN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C17H22N4O/c1-4-10-19-11-20(15-8-6-5-7-9-15)17-18-14(3)13(2)16(22)21(17)12-19/h5-9H,4,10-12H2,1-3H3
InChIKeyKSERMLQJMWJCRF-UHFFFAOYSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492499) is 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCCN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is KSERMLQJMWJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-10-19-11-20(15-8-6-5-7-9-15)17-18-14(3)13(2)16(22)21(17)12-19/h5-9H,4,10-12H2,1-3H3.
What are the key properties of 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 298.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).