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2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C18H16N6O — CID 135786448

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(Nc1ccccc1)=NC2c1ccncc1
InChIInChI=1S/C18H16N6O/c1-12-11-15(25)24-16(13-7-9-19-10-8-13)22-17(23-18(24)20-12)21-14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,20,21,22,23)
InChIKeyHLTLOJHHUBINQZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.39
Rot. Bonds2

About 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135786448) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135786448
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)NC(Nc1ccccc1)=NC2c1ccncc1
InChIInChI=1S/C18H16N6O/c1-12-11-15(25)24-16(13-7-9-19-10-8-13)22-17(23-18(24)20-12)21-14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,20,21,22,23)
InChIKeyHLTLOJHHUBINQZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135786448) is 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=NC2c1ccncc1.
What is the InChIKey of 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is HLTLOJHHUBINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-11-15(25)24-16(13-7-9-19-10-8-13)22-17(23-18(24)20-12)21-14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,20,21,22,23).
What are the key properties of 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 332.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135786448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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