2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one

C14H13FN2O2 — CID 103242112

IUPAC2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(F)cc1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H13FN2O2/c1-8-2-5-10(15)6-11(8)19-13-7-12(18)16-14(17-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17,18)
InChIKeyOMSAVLNLMLHHHA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.89
Rot. Bonds3

About 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103242112) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID103242112
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(F)cc1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H13FN2O2/c1-8-2-5-10(15)6-11(8)19-13-7-12(18)16-14(17-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17,18)
InChIKeyOMSAVLNLMLHHHA-UHFFFAOYSA-N
XLogP2.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.89
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-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103240966
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116
N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]acetamide
CID 103241223
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
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
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770178

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (CID 103242112) is 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(F)cc1Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is OMSAVLNLMLHHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-2-5-10(15)6-11(8)19-13-7-12(18)16-14(17-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 260.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103242112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).