5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine

C16H13FN4 — CID 667926

IUPAC5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C16H13FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,21)
InChIKeyIOBVCHJTLVPPBR-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.10
Rot. Bonds4

About 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine

5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine (PubChem CID 667926) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
PubChem CID667926
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C16H13FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,21)
InChIKeyIOBVCHJTLVPPBR-UHFFFAOYSA-N
XLogP4.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine (CID 667926) is 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine is Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine?
The InChIKey is IOBVCHJTLVPPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,21).
What are the key properties of 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine has a molecular weight of 280.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine is sourced from PubChem (CID 667926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).