4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine

C16H13FN4 — CID 70702141

IUPAC4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C16H13FN4/c17-13-8-4-5-9-14(13)20-15-10-11-18-16(21-15)19-12-6-2-1-3-7-12/h1-11H,(H2,18,19,20,21)
InChIKeyHMJQMUVLRTWFDS-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.10
Rot. Bonds4

About 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 70702141) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID70702141
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C16H13FN4/c17-13-8-4-5-9-14(13)20-15-10-11-18-16(21-15)19-12-6-2-1-3-7-12/h1-11H,(H2,18,19,20,21)
InChIKeyHMJQMUVLRTWFDS-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 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 70702141) is 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine is Fc1ccccc1Nc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is HMJQMUVLRTWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c17-13-8-4-5-9-14(13)20-15-10-11-18-16(21-15)19-12-6-2-1-3-7-12/h1-11H,(H2,18,19,20,21).
What are the key properties of 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-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 4-N-(2-fluorophenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 70702141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).