4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine

C9H10BrF2N3 — CID 131093374

IUPAC4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
SMILESCc1nc(Br)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C9H10BrF2N3/c1-6-13-7(10)4-8(14-6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3
InChIKeyCOBZXJWSUDDWOV-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.39
Rot. Bonds1

About 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine

4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine (PubChem CID 131093374) has the molecular formula C9H10BrF2N3 and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
PubChem CID131093374
Molecular FormulaC9H10BrF2N3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC Name4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
SMILESCc1nc(Br)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C9H10BrF2N3/c1-6-13-7(10)4-8(14-6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3
InChIKeyCOBZXJWSUDDWOV-UHFFFAOYSA-N
XLogP2.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine (CID 131093374) is 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine is Cc1nc(Br)cc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine?
The InChIKey is COBZXJWSUDDWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3/c1-6-13-7(10)4-8(14-6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3.
What are the key properties of 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine?
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine has a molecular weight of 278.10 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 131093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).