2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

C15H15FN2O2 — CID 136692688

IUPAC2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C3CC3)[nH]c(=O)c2C)cc1F
InChIInChI=1S/C15H15FN2O2/c1-8-13(10-5-6-12(20-2)11(16)7-10)17-14(9-3-4-9)18-15(8)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyXHGIGJOJKWQIQY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds3

About 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692688) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692688
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C3CC3)[nH]c(=O)c2C)cc1F
InChIInChI=1S/C15H15FN2O2/c1-8-13(10-5-6-12(20-2)11(16)7-10)17-14(9-3-4-9)18-15(8)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyXHGIGJOJKWQIQY-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978703
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
2-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-amine
CID 65096025
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (CID 136692688) is 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is COc1ccc(-c2nc(C3CC3)[nH]c(=O)c2C)cc1F.
What is the InChIKey of 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is XHGIGJOJKWQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8-13(10-5-6-12(20-2)11(16)7-10)17-14(9-3-4-9)18-15(8)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 274.30 g/mol, XLogP of 2.77, 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-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).