5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one

C14H15FN2O — CID 106522060

IUPAC5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cccc(-c2[nH]c(=O)ncc2F)c1
InChIInChI=1S/C14H15FN2O/c1-9(2)6-10-4-3-5-11(7-10)13-12(15)8-16-14(18)17-13/h3-5,7-9H,6H2,1-2H3,(H,16,17,18)
InChIKeyDWCGJOVMAJQCCV-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one

5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one (PubChem CID 106522060) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one
PubChem CID106522060
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cccc(-c2[nH]c(=O)ncc2F)c1
InChIInChI=1S/C14H15FN2O/c1-9(2)6-10-4-3-5-11(7-10)13-12(15)8-16-14(18)17-13/h3-5,7-9H,6H2,1-2H3,(H,16,17,18)
InChIKeyDWCGJOVMAJQCCV-UHFFFAOYSA-N
XLogP2.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-chlorophenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106515590
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
CID 106522097
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
3-fluoro-4-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 116545289
3-fluoro-4-[3-(2-methylpropyl)phenyl]aniline
CID 116545257
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
CID 105371570
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one (CID 106522060) is 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one is CC(C)Cc1cccc(-c2[nH]c(=O)ncc2F)c1.
What is the InChIKey of 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is DWCGJOVMAJQCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(2)6-10-4-3-5-11(7-10)13-12(15)8-16-14(18)17-13/h3-5,7-9H,6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one?
5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 106522060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).