2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine

C9H11ClFN3 — CID 79080984

IUPAC2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H11ClFN3/c1-6-2-3-14(5-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3
InChIKeyVHHWUQRXKTXXFC-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.12
Rot. Bonds1

About 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine

2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 79080984) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine
PubChem CID79080984
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H11ClFN3/c1-6-2-3-14(5-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3
InChIKeyVHHWUQRXKTXXFC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine (CID 79080984) is 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine is CC1CCN(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is VHHWUQRXKTXXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-6-2-3-14(5-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine?
2-chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 215.66 g/mol, XLogP of 2.12, 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-(3-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 79080984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).