1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine

C12H11BrFN3 — CID 82802968

IUPAC1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H11BrFN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3
InChIKeyBSCMIBDBWGIWBR-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.76
Rot. Bonds3

About 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 82802968) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID82802968
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H11BrFN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3
InChIKeyBSCMIBDBWGIWBR-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine (CID 82802968) is 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(-c2ccc(F)c(Br)c2)nc1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is BSCMIBDBWGIWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 296.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82802968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).