4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine

C11H18F2N4O — CID 123392350

IUPAC4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine
SMILESCCC(F)(F)CCCNc1nc(N)ncc1OC
InChIInChI=1S/C11H18F2N4O/c1-3-11(12,13)5-4-6-15-9-8(18-2)7-16-10(14)17-9/h7H,3-6H2,1-2H3,(H3,14,15,16,17)
InChIKeyMUIAMKWLOPGMKI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.30
Rot. Bonds7

About 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine

4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine (PubChem CID 123392350) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine
PubChem CID123392350
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine
SMILESCCC(F)(F)CCCNc1nc(N)ncc1OC
InChIInChI=1S/C11H18F2N4O/c1-3-11(12,13)5-4-6-15-9-8(18-2)7-16-10(14)17-9/h7H,3-6H2,1-2H3,(H3,14,15,16,17)
InChIKeyMUIAMKWLOPGMKI-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.30
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-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine (CID 123392350) is 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine is CCC(F)(F)CCCNc1nc(N)ncc1OC.
What is the InChIKey of 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine?
The InChIKey is MUIAMKWLOPGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-11(12,13)5-4-6-15-9-8(18-2)7-16-10(14)17-9/h7H,3-6H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine?
4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine has a molecular weight of 260.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 123392350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).