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

C12H12FN3 — CID 84682667

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
SMILESCNCc1nccc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3/c1-14-8-12-15-7-6-11(16-12)9-4-2-3-5-10(9)13/h2-7,14H,8H2,1H3
InChIKeyQUQUGLPSDACKRL-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.00
Rot. Bonds3

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

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine (PubChem CID 84682667) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
PubChem CID84682667
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
SMILESCNCc1nccc(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3/c1-14-8-12-15-7-6-11(16-12)9-4-2-3-5-10(9)13/h2-7,14H,8H2,1H3
InChIKeyQUQUGLPSDACKRL-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine (CID 84682667) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine is CNCc1nccc(-c2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine?
The InChIKey is QUQUGLPSDACKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-14-8-12-15-7-6-11(16-12)9-4-2-3-5-10(9)13/h2-7,14H,8H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine has a molecular weight of 217.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84682667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).