4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C13H22N2O3 — CID 106451674

IUPAC4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeySGIGPRAWZAHCJX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.94
Rot. Bonds7

About 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 106451674) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID106451674
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeySGIGPRAWZAHCJX-UHFFFAOYSA-N
XLogP1.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(2-methylpropoxy)ethoxy]-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

Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792803
2-propan-2-yl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792805
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 106451674) is 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)COCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SGIGPRAWZAHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)8-17-5-6-18-12-7-11(16)14-13(15-12)10(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 106451674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).