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

C19H26N4O — CID 66492860

IUPAC1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCCN1CN(c2ccc(CC)cc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C19H26N4O/c1-5-11-21-12-22(17-9-7-16(6-2)8-10-17)19-20-15(4)14(3)18(24)23(19)13-21/h7-10H,5-6,11-13H2,1-4H3
InChIKeyYKGTVMUCGCCMLE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.20
Rot. Bonds4

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

1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492860) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492860
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCCN1CN(c2ccc(CC)cc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C19H26N4O/c1-5-11-21-12-22(17-9-7-16(6-2)8-10-17)19-20-15(4)14(3)18(24)23(19)13-21/h7-10H,5-6,11-13H2,1-4H3
InChIKeyYKGTVMUCGCCMLE-UHFFFAOYSA-N
XLogP3.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492860) is 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCCN1CN(c2ccc(CC)cc2)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is YKGTVMUCGCCMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-11-21-12-22(17-9-7-16(6-2)8-10-17)19-20-15(4)14(3)18(24)23(19)13-21/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 326.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-7,8-dimethyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).