N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine

C17H14FN3 — CID 3234719

IUPACN-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H14FN3/c1-12-4-2-3-5-15(12)16-10-17(20-11-19-16)21-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20,21)
InChIKeyXTIBNDYLIDJWCG-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.33
Rot. Bonds3

About N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine

N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 3234719) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine
PubChem CID3234719
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC NameN-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H14FN3/c1-12-4-2-3-5-15(12)16-10-17(20-11-19-16)21-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20,21)
InChIKeyXTIBNDYLIDJWCG-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine (CID 3234719) is N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine is Cc1ccccc1-c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is XTIBNDYLIDJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-12-4-2-3-5-15(12)16-10-17(20-11-19-16)21-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20,21).
What are the key properties of N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine?
N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 279.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3234719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).