4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C13H14BrFN4O — CID 104775547

IUPAC4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2ccc(F)c(Br)c2)c1N
InChIInChI=1S/C13H14BrFN4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyQFFUONBNRQTECW-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.49
Rot. Bonds4

About 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 104775547) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID104775547
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2ccc(F)c(Br)c2)c1N
InChIInChI=1S/C13H14BrFN4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyQFFUONBNRQTECW-UHFFFAOYSA-N
XLogP3.49
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 104775547) is 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(Nc2ccc(F)c(Br)c2)c1N.
What is the InChIKey of 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is QFFUONBNRQTECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-8-3-4-10(15)9(14)5-8/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 341.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 104775547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).