5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine

C23H17F2N3 — CID 139449779

IUPAC5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H17F2N3/c24-18-10-6-16(7-11-18)21-20(14-15-4-2-1-3-5-15)22(28-23(26)27-21)17-8-12-19(25)13-9-17/h1-13H,14H2,(H2,26,27,28)
InChIKeyJCDOFALEDGAJTN-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.26
Rot. Bonds4

About 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine

5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 139449779) has the molecular formula C23H17F2N3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
PubChem CID139449779
Molecular FormulaC23H17F2N3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H17F2N3/c24-18-10-6-16(7-11-18)21-20(14-15-4-2-1-3-5-15)22(28-23(26)27-21)17-8-12-19(25)13-9-17/h1-13H,14H2,(H2,26,27,28)
InChIKeyJCDOFALEDGAJTN-UHFFFAOYSA-N
XLogP5.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine (CID 139449779) is 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine is Nc1nc(-c2ccc(F)cc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is JCDOFALEDGAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3/c24-18-10-6-16(7-11-18)21-20(14-15-4-2-1-3-5-15)22(28-23(26)27-21)17-8-12-19(25)13-9-17/h1-13H,14H2,(H2,26,27,28).
What are the key properties of 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine?
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 373.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 139449779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).