2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine

C9H11ClFN3 — CID 79081836

IUPAC2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H11ClFN3/c1-6-3-2-4-14(6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3
InChIKeyHIUIWJYAZAHTRR-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.26
Rot. Bonds1

About 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine

2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 79081836) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine
PubChem CID79081836
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H11ClFN3/c1-6-3-2-4-14(6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3
InChIKeyHIUIWJYAZAHTRR-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-Chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 10773821
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990
2-Chloro-5-fluoro-4-(pyrrolidin-1-yl)pyrimidine
CID 16762742
5-Bromo-2-chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 44558540
2,5-Dichloro-4-pyrrolidin-1-ylpyrimidine
CID 58539309
2-N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 125439178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine (CID 79081836) is 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine is CC1CCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is HIUIWJYAZAHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-6-3-2-4-14(6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 215.66 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 79081836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).