2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one

C14H19N7O — CID 154767752

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nnc(Nc2nc(C3CCN(C)C3)cc(=O)[nH]2)nc1C
InChIInChI=1S/C14H19N7O/c1-8-9(2)19-20-14(15-8)18-13-16-11(6-12(22)17-13)10-4-5-21(3)7-10/h6,10H,4-5,7H2,1-3H3,(H2,15,16,17,18,20,22)
InChIKeyKNJVYSXPYJRJTF-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.73
Rot. Bonds3

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 154767752) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one
PubChem CID154767752
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nnc(Nc2nc(C3CCN(C)C3)cc(=O)[nH]2)nc1C
InChIInChI=1S/C14H19N7O/c1-8-9(2)19-20-14(15-8)18-13-16-11(6-12(22)17-13)10-4-5-21(3)7-10/h6,10H,4-5,7H2,1-3H3,(H2,15,16,17,18,20,22)
InChIKeyKNJVYSXPYJRJTF-UHFFFAOYSA-N
XLogP0.73
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one (CID 154767752) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one is Cc1nnc(Nc2nc(C3CCN(C)C3)cc(=O)[nH]2)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is KNJVYSXPYJRJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-8-9(2)19-20-14(15-8)18-13-16-11(6-12(22)17-13)10-4-5-21(3)7-10/h6,10H,4-5,7H2,1-3H3,(H2,15,16,17,18,20,22).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 301.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-(1-methylpyrrolidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154767752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).