2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one

C8H10F2N2O — CID 170730423

IUPAC2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)(F)CF)n1
InChIInChI=1S/C8H10F2N2O/c1-5-3-6(13)12-7(11-5)8(2,10)4-9/h3H,4H2,1-2H3,(H,11,12,13)
InChIKeyZDSVMOMVORWDBR-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.23
Rot. Bonds2

About 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 170730423) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID170730423
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)(F)CF)n1
InChIInChI=1S/C8H10F2N2O/c1-5-3-6(13)12-7(11-5)8(2,10)4-9/h3H,4H2,1-2H3,(H,11,12,13)
InChIKeyZDSVMOMVORWDBR-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,2-difluoropropan-2-yl)-4-methyl-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-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 170730423) is 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)(F)CF)n1.
What is the InChIKey of 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZDSVMOMVORWDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-3-6(13)12-7(11-5)8(2,10)4-9/h3H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 188.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-difluoropropan-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170730423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).