4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

C13H14BrFN4 — CID 80955693

IUPAC4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H14BrFN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyYQMPNANUTZQCIG-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.83
Rot. Bonds3

About 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80955693) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80955693
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H14BrFN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyYQMPNANUTZQCIG-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2,4-difluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 102855477
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107614831
4-N-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580802
4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955939
4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967290
5-N-(4-bromo-2-fluorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017406
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80955693) is 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YQMPNANUTZQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 325.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).