4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine

C13H15BrFN5 — CID 80787761

IUPAC4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2cc(Br)ccc2F)nc(N)n1
InChIInChI=1S/C13H15BrFN5/c1-2-5-17-11-7-12(20-13(16)19-11)18-10-6-8(14)3-4-9(10)15/h3-4,6-7H,2,5H2,1H3,(H4,16,17,18,19,20)
InChIKeyYUCIAQFKWODHBW-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.53
Rot. Bonds5

About 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80787761) has the molecular formula C13H15BrFN5 and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80787761
Molecular FormulaC13H15BrFN5
Molecular Weight340.20 g/mol
Exact Mass339.05
IUPAC Name4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2cc(Br)ccc2F)nc(N)n1
InChIInChI=1S/C13H15BrFN5/c1-2-5-17-11-7-12(20-13(16)19-11)18-10-6-8(14)3-4-9(10)15/h3-4,6-7H,2,5H2,1H3,(H4,16,17,18,19,20)
InChIKeyYUCIAQFKWODHBW-UHFFFAOYSA-N
XLogP3.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80776553
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
4-N-(4-bromo-2-chlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80773687
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80787761) is 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(Nc2cc(Br)ccc2F)nc(N)n1.
What is the InChIKey of 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is YUCIAQFKWODHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN5/c1-2-5-17-11-7-12(20-13(16)19-11)18-10-6-8(14)3-4-9(10)15/h3-4,6-7H,2,5H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 340.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80787761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).