2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine

C16H12F2N4 — CID 850652

IUPAC2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12F2N4/c17-11-1-5-13(6-2-11)20-15-9-10-19-16(22-15)21-14-7-3-12(18)4-8-14/h1-10H,(H2,19,20,21,22)
InChIKeyJMEJKVASDWENAK-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.24
Rot. Bonds4

About 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine

2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 850652) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID850652
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12F2N4/c17-11-1-5-13(6-2-11)20-15-9-10-19-16(22-15)21-14-7-3-12(18)4-8-14/h1-10H,(H2,19,20,21,22)
InChIKeyJMEJKVASDWENAK-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine (CID 850652) is 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2ccnc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is JMEJKVASDWENAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c17-11-1-5-13(6-2-11)20-15-9-10-19-16(22-15)21-14-7-3-12(18)4-8-14/h1-10H,(H2,19,20,21,22).
What are the key properties of 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 298.30 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 850652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).