4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

C13H14BrFN4 — CID 80788165

IUPAC4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H14BrFN4/c1-3-16-13-17-8(2)6-12(19-13)18-11-7-9(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyAGCINVOTYLOBKU-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.86
Rot. Bonds4

About 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 80788165) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID80788165
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H14BrFN4/c1-3-16-13-17-8(2)6-12(19-13)18-11-7-9(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyAGCINVOTYLOBKU-UHFFFAOYSA-N
XLogP3.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785157
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 107638886
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 80788165) is 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is AGCINVOTYLOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-3-16-13-17-8(2)6-12(19-13)18-11-7-9(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 325.19 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80788165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).