4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine

C11H20FN5 — CID 80777648

IUPAC4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1nc(N)ncc1F
InChIInChI=1S/C11H20FN5/c1-3-17(4-2)7-5-6-14-10-9(12)8-15-11(13)16-10/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHEWCDTJHRWFLFR-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.34
Rot. Bonds7

About 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 80777648) has the molecular formula C11H20FN5 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID80777648
Molecular FormulaC11H20FN5
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1nc(N)ncc1F
InChIInChI=1S/C11H20FN5/c1-3-17(4-2)7-5-6-14-10-9(12)8-15-11(13)16-10/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHEWCDTJHRWFLFR-UHFFFAOYSA-N
XLogP1.34
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine (CID 80777648) is 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine is CCN(CC)CCCNc1nc(N)ncc1F.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is HEWCDTJHRWFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5/c1-3-17(4-2)7-5-6-14-10-9(12)8-15-11(13)16-10/h8H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 241.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80777648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).