2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one

C11H18N2O2 — CID 136930623

IUPAC2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(C)COC)n1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-6-10(14)13-11(12-9)8(2)7-15-3/h6,8H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyBKRGXUDJLGPGLV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.47
Rot. Bonds5

About 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one

2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136930623) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136930623
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(C)COC)n1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-6-10(14)13-11(12-9)8(2)7-15-3/h6,8H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyBKRGXUDJLGPGLV-UHFFFAOYSA-N
XLogP1.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxypropan-2-yl)-4-propyl-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-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930640
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
6-Propyl-2-selenouracil
CID 135412657
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670
2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136965380
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one (CID 136930623) is 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C(C)COC)n1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is BKRGXUDJLGPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-9-6-10(14)13-11(12-9)8(2)7-15-3/h6,8H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).