4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C14H16BrFN4 — CID 80755574

IUPAC4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(F)cc2Br)nc(C)n1
InChIInChI=1S/C14H16BrFN4/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyLZYZKKVTDZPVOE-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.25
Rot. Bonds5

About 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80755574) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80755574
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(F)cc2Br)nc(C)n1
InChIInChI=1S/C14H16BrFN4/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyLZYZKKVTDZPVOE-UHFFFAOYSA-N
XLogP4.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
4-N-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80776553
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80755574) is 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccc(F)cc2Br)nc(C)n1.
What is the InChIKey of 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LZYZKKVTDZPVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 339.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80755574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).