4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one

C13H16N4O — CID 162655129

IUPAC4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CCCC3)n1
InChIInChI=1S/C13H16N4O/c1-8-7-12(18)15-13(14-8)17-9(2)10-5-3-4-6-11(10)16-17/h7H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyFDHDGDINSCRFQK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.45
Rot. Bonds1

About 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one

4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 162655129) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
PubChem CID162655129
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CCCC3)n1
InChIInChI=1S/C13H16N4O/c1-8-7-12(18)15-13(14-8)17-9(2)10-5-3-4-6-11(10)16-17/h7H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyFDHDGDINSCRFQK-UHFFFAOYSA-N
XLogP1.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-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 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one (CID 162655129) is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc3c(c2C)CCCC3)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FDHDGDINSCRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-7-12(18)15-13(14-8)17-9(2)10-5-3-4-6-11(10)16-17/h7H,3-6H2,1-2H3,(H,14,15,18).
What are the key properties of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one?
4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 244.30 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162655129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).