5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine

C15H17BrFN3 — CID 66298662

IUPAC5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(F)c2)nc(CC)c1Br
InChIInChI=1S/C15H17BrFN3/c1-3-12-14(16)15(18-4-2)20-13(19-12)9-10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyRSKOTRQDJHVYDE-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.96
Rot. Bonds5

About 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine

5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 66298662) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID66298662
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(F)c2)nc(CC)c1Br
InChIInChI=1S/C15H17BrFN3/c1-3-12-14(16)15(18-4-2)20-13(19-12)9-10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyRSKOTRQDJHVYDE-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine (CID 66298662) is 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine is CCNc1nc(Cc2cccc(F)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is RSKOTRQDJHVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-3-12-14(16)15(18-4-2)20-13(19-12)9-10-6-5-7-11(17)8-10/h5-8H,3-4,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 338.22 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66298662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).