5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

C15H18FN5 — CID 71014823

IUPAC5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1NC1CCCNC1
InChIInChI=1S/C15H18FN5/c16-13-10-18-15(20-11-5-2-1-3-6-11)21-14(13)19-12-7-4-8-17-9-12/h1-3,5-6,10,12,17H,4,7-9H2,(H2,18,19,20,21)
InChIKeyJJUURHWLSSBDFH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.52
Rot. Bonds4

About 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (PubChem CID 71014823) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
PubChem CID71014823
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccccc2)nc1NC1CCCNC1
InChIInChI=1S/C15H18FN5/c16-13-10-18-15(20-11-5-2-1-3-6-11)21-14(13)19-12-7-4-8-17-9-12/h1-3,5-6,10,12,17H,4,7-9H2,(H2,18,19,20,21)
InChIKeyJJUURHWLSSBDFH-UHFFFAOYSA-N
XLogP2.52
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (CID 71014823) is 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is Fc1cnc(Nc2ccccc2)nc1NC1CCCNC1.
What is the InChIKey of 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is JJUURHWLSSBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-13-10-18-15(20-11-5-2-1-3-6-11)21-14(13)19-12-7-4-8-17-9-12/h1-3,5-6,10,12,17H,4,7-9H2,(H2,18,19,20,21).
What are the key properties of 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71014823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).