2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

C11H16N2O3 — CID 103241636

IUPAC2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O3/c1-7(6-15-2)16-10-5-9(14)12-11(13-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyJBBYEMKYLCYUNA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds5

About 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241636) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103241636
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N2O3/c1-7(6-15-2)16-10-5-9(14)12-11(13-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyJBBYEMKYLCYUNA-UHFFFAOYSA-N
XLogP1.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-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-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852193
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480
2-cyclopropyl-6-(1-methoxypropan-2-yloxy)pyrimidin-4-amine
CID 80963189
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 103568254
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 106825746
2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103240966
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (CID 103241636) is 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is COCC(C)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is JBBYEMKYLCYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(6-15-2)16-10-5-9(14)12-11(13-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).