2-N,4-N-diphenylpyrimidine-2,4-diamine

C16H14N4 — CID 948954

IUPAC2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4/c1-3-7-13(8-4-1)18-15-11-12-17-16(20-15)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20)
InChIKeyGKFFFOLFBJUEFN-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.96
Rot. Bonds4

About 2-N,4-N-diphenylpyrimidine-2,4-diamine

2-N,4-N-diphenylpyrimidine-2,4-diamine (PubChem CID 948954) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N,4-N-diphenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenylpyrimidine-2,4-diamine
PubChem CID948954
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4/c1-3-7-13(8-4-1)18-15-11-12-17-16(20-15)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20)
InChIKeyGKFFFOLFBJUEFN-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.96
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-diphenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenylpyrimidine-2,4-diamine (CID 948954) is 2-N,4-N-diphenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenylpyrimidine-2,4-diamine is c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N-diphenylpyrimidine-2,4-diamine?
The InChIKey is GKFFFOLFBJUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-3-7-13(8-4-1)18-15-11-12-17-16(20-15)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20).
What are the key properties of 2-N,4-N-diphenylpyrimidine-2,4-diamine?
2-N,4-N-diphenylpyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.96, 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-diphenylpyrimidine-2,4-diamine is sourced from PubChem (CID 948954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).