2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine

C12H13BrN4 — CID 116796269

IUPAC2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nc(N)cc(Br)n1
InChIInChI=1S/C12H13BrN4/c1-17(8-9-5-3-2-4-6-9)12-15-10(13)7-11(14)16-12/h2-7H,8H2,1H3,(H2,14,15,16)
InChIKeyCHINRHQTOYDHMY-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds3

About 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine

2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116796269) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
PubChem CID116796269
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nc(N)cc(Br)n1
InChIInChI=1S/C12H13BrN4/c1-17(8-9-5-3-2-4-6-9)12-15-10(13)7-11(14)16-12/h2-7H,8H2,1H3,(H2,14,15,16)
InChIKeyCHINRHQTOYDHMY-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
N-benzyl-6-bromo-N-methylquinazolin-2-amine
CID 165491586
6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796276
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine (CID 116796269) is 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1)c1nc(N)cc(Br)n1.
What is the InChIKey of 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is CHINRHQTOYDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(8-9-5-3-2-4-6-9)12-15-10(13)7-11(14)16-12/h2-7H,8H2,1H3,(H2,14,15,16).
What are the key properties of 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine?
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).