N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine

C17H14FN3O — CID 3233146

IUPACN-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c1-22-16-5-3-2-4-14(16)15-10-19-11-20-17(15)21-13-8-6-12(18)7-9-13/h2-11H,1H3,(H,19,20,21)
InChIKeyPIULBSRRYDCONY-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.03
Rot. Bonds4

About N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine

N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3233146) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID3233146
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c1-22-16-5-3-2-4-14(16)15-10-19-11-20-17(15)21-13-8-6-12(18)7-9-13/h2-11H,1H3,(H,19,20,21)
InChIKeyPIULBSRRYDCONY-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine (CID 3233146) is N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine is COc1ccccc1-c1cncnc1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is PIULBSRRYDCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-22-16-5-3-2-4-14(16)15-10-19-11-20-17(15)21-13-8-6-12(18)7-9-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).