2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one

C15H16N2O2 — CID 103240966

IUPAC2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]c(C3CC3)n2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-9-3-6-12(10(2)7-9)19-14-8-13(18)16-15(17-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyZKCNKUZQGMBDQE-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.06
Rot. Bonds3

About 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103240966) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
PubChem CID103240966
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]c(C3CC3)n2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-9-3-6-12(10(2)7-9)19-14-8-13(18)16-15(17-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyZKCNKUZQGMBDQE-UHFFFAOYSA-N
XLogP3.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(2,3-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103241006
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
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-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 103568254
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one (CID 103240966) is 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2cc(=O)[nH]c(C3CC3)n2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is ZKCNKUZQGMBDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-6-12(10(2)7-9)19-14-8-13(18)16-15(17-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).