2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine

C17H14FN3 — CID 104846735

IUPAC2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
SMILESCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14FN3/c1-11-15(12-5-3-2-4-6-12)20-17(21-16(11)19)13-7-9-14(18)10-8-13/h2-10H,1H3,(H2,19,20,21)
InChIKeyZZRGJQGMQKEJJI-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine

2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine (PubChem CID 104846735) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
PubChem CID104846735
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
SMILESCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14FN3/c1-11-15(12-5-3-2-4-6-12)20-17(21-16(11)19)13-7-9-14(18)10-8-13/h2-10H,1H3,(H2,19,20,21)
InChIKeyZZRGJQGMQKEJJI-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine (CID 104846735) is 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine is Cc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is ZZRGJQGMQKEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-11-15(12-5-3-2-4-6-12)20-17(21-16(11)19)13-7-9-14(18)10-8-13/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine?
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 279.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).