2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one

C14H14N2O2 — CID 103241116

IUPAC2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-2-4-11(7-9)18-13-8-12(17)15-14(16-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16,17)
InChIKeyOALBBABLYLGKKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.75
Rot. Bonds3

About 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241116) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241116
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-2-4-11(7-9)18-13-8-12(17)15-14(16-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16,17)
InChIKeyOALBBABLYLGKKB-UHFFFAOYSA-N
XLogP2.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103240966
2-cyclopropyl-4-(2,3-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103241006
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]acetamide
CID 103241223
5-amino-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzonitrile
CID 114578692
4-[2-(aminomethyl)-4-bromophenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114585999
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79416999
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one (CID 103241116) is 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one is Cc1cccc(Oc2cc(=O)[nH]c(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is OALBBABLYLGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-2-4-11(7-9)18-13-8-12(17)15-14(16-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).