2-(4-fluorophenyl)-N-methylpyrimidin-4-amine

C11H10FN3 — CID 62190613

IUPAC2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3/c1-13-10-6-7-14-11(15-10)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,15)
InChIKeyREZIEIILOQHOLQ-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.32
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine

2-(4-fluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 62190613) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID62190613
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3/c1-13-10-6-7-14-11(15-10)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,15)
InChIKeyREZIEIILOQHOLQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine (CID 62190613) is 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is REZIEIILOQHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-13-10-6-7-14-11(15-10)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 203.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62190613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).