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

C14H13FN2O — CID 136692169

IUPAC2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(F)c2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H13FN2O/c1-8-12(10-3-2-4-11(15)7-10)16-13(9-5-6-9)17-14(8)18/h2-4,7,9H,5-6H2,1H3,(H,16,17,18)
InChIKeyHYEYGRCVHJQNJW-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.76
Rot. Bonds2

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

2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692169) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692169
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(F)c2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H13FN2O/c1-8-12(10-3-2-4-11(15)7-10)16-13(9-5-6-9)17-14(8)18/h2-4,7,9H,5-6H2,1H3,(H,16,17,18)
InChIKeyHYEYGRCVHJQNJW-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
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-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79416999
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 136692169) is 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2cccc(F)c2)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is HYEYGRCVHJQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-8-12(10-3-2-4-11(15)7-10)16-13(9-5-6-9)17-14(8)18/h2-4,7,9H,5-6H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 244.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).