5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine

C10H12BrFN2 — CID 164659971

IUPAC5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine
SMILESCC1(c2ncc(Br)c(F)n2)CCCC1
InChIInChI=1S/C10H12BrFN2/c1-10(4-2-3-5-10)9-13-6-7(11)8(12)14-9/h6H,2-5H2,1H3
InChIKeyXGPLDIUCVYHAKZ-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.21
Rot. Bonds1

About 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine

5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine (PubChem CID 164659971) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine
PubChem CID164659971
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine
SMILESCC1(c2ncc(Br)c(F)n2)CCCC1
InChIInChI=1S/C10H12BrFN2/c1-10(4-2-3-5-10)9-13-6-7(11)8(12)14-9/h6H,2-5H2,1H3
InChIKeyXGPLDIUCVYHAKZ-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
CID 121389488
5-methoxy-2-(1-methylcyclopropyl)pyrimidin-4-amine
CID 126981932
5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
CID 106997633
5-bromo-2-(1-methoxycyclohexyl)pyrimidine-4-carboxylic acid
CID 106512057
3-fluoro-5-(1-methylcyclopentyl)pyridine
CID 143500095
1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol
CID 142668143
5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine
CID 172531840
4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide
CID 116647952
2-methyl-5-(1-methylcyclohexyl)pyrimidine
CID 145419022
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine?
The IUPAC name of 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine (CID 164659971) is 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine?
The canonical SMILES for 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine is CC1(c2ncc(Br)c(F)n2)CCCC1.
What is the InChIKey of 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine?
The InChIKey is XGPLDIUCVYHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c1-10(4-2-3-5-10)9-13-6-7(11)8(12)14-9/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine?
5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine has a molecular weight of 259.12 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine is sourced from PubChem (CID 164659971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).