(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine

C11H10FN3 — CID 82506491

IUPAC(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine
SMILESNCc1ccc(F)cc1-c1cncnc1
InChIInChI=1S/C11H10FN3/c12-10-2-1-8(4-13)11(3-10)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2
InChIKeyCCLXRQLLJNWSSF-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.74
Rot. Bonds2

About (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine

(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine (PubChem CID 82506491) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine
PubChem CID82506491
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine
SMILESNCc1ccc(F)cc1-c1cncnc1
InChIInChI=1S/C11H10FN3/c12-10-2-1-8(4-13)11(3-10)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2
InChIKeyCCLXRQLLJNWSSF-UHFFFAOYSA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine?
The IUPAC name of (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine (CID 82506491) is (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine?
The canonical SMILES for (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine is NCc1ccc(F)cc1-c1cncnc1.
What is the InChIKey of (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine?
The InChIKey is CCLXRQLLJNWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-10-2-1-8(4-13)11(3-10)9-5-14-7-15-6-9/h1-3,5-7H,4,13H2.
What are the key properties of (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine?
(4-fluoro-2-pyrimidin-5-ylphenyl)methanamine has a molecular weight of 203.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-pyrimidin-5-ylphenyl)methanamine is sourced from PubChem (CID 82506491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).