6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

C12H13BrN4 — CID 116795404

IUPAC6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)cc(Br)n1)c1ccccc1
InChIInChI=1S/C12H13BrN4/c1-8(9-5-3-2-4-6-9)15-12-16-10(13)7-11(14)17-12/h2-8H,1H3,(H3,14,15,16,17)
InChIKeyGRISFZUXYLXTDN-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.99
Rot. Bonds3

About 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 116795404) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID116795404
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)cc(Br)n1)c1ccccc1
InChIInChI=1S/C12H13BrN4/c1-8(9-5-3-2-4-6-9)15-12-16-10(13)7-11(14)17-12/h2-8H,1H3,(H3,14,15,16,17)
InChIKeyGRISFZUXYLXTDN-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine
CID 116795502
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
6-bromo-2-N-pent-4-yn-2-ylpyrimidine-2,4-diamine
CID 116797399
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 116795404) is 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is CC(Nc1nc(N)cc(Br)n1)c1ccccc1.
What is the InChIKey of 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is GRISFZUXYLXTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(9-5-3-2-4-6-9)15-12-16-10(13)7-11(14)17-12/h2-8H,1H3,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).