(4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C19H18N6O2 — CID 135601553

About (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

(4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135601553) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

• Compound Name: (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
• PubChem CID: 135601553
• Molecular Formula: C19H18N6O2
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.15
• IUPAC Name: (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
• SMILES: COc1ccccc1NC1=N[C@H](c2cccnc2)n2c(nc(C)cc2=O)N1
• InChI: InChI=1S/C19H18N6O2/c1-12-10-16(26)25-17(13-6-5-9-20-11-13)23-18(24-19(25)21-12)22-14-7-3-4-8-15(14)27-2/h3-11,17H,1-2H3,(H2,21,22,23,24)/t17-/m0/s1
• InChIKey: YCYHVDMYGGMKNI-KRWDZBQOSA-N
• XLogP: 2.40
• TPSA: 93.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?

The IUPAC name of (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135601553) is (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

What is the SMILES notation for (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?

The canonical SMILES for (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccccc1NC1=N[C@H](c2cccnc2)n2c(nc(C)cc2=O)N1.

What is the InChIKey of (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?

The InChIKey is YCYHVDMYGGMKNI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-10-16(26)25-17(13-6-5-9-20-11-13)23-18(24-19(25)21-12)22-14-7-3-4-8-15(14)27-2/h3-11,17H,1-2H3,(H2,21,22,23,24)/t17-/m0/s1.

What are the key properties of (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?

(4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 362.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-(2-methoxyanilino)-8-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135601553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).