4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one

C8H12N2O2 — CID 23338958

IUPAC4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(10-8)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyZVPPHZDHBNMFNI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.90
Rot. Bonds2

About 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one

4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 23338958) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID23338958
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(10-8)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyZVPPHZDHBNMFNI-UHFFFAOYSA-N
XLogP0.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-propan-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-methoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 23338958) is 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZVPPHZDHBNMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(10-8)12-3/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 23338958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).