6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine

C6H9BrN4 — CID 116796338

IUPAC6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C6H9BrN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyKGBNYHFXYDUAIA-UHFFFAOYSA-N
MW217.07 g/mol
LogP0.89
Rot. Bonds1

About 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine

6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 116796338) has the molecular formula C6H9BrN4 and a molecular weight of 217.07 g/mol. Its IUPAC name is 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID116796338
Molecular FormulaC6H9BrN4
Molecular Weight217.07 g/mol
Exact Mass216.00
IUPAC Name6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C6H9BrN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyKGBNYHFXYDUAIA-UHFFFAOYSA-N
XLogP0.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 50.89
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
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 116796862
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 116796338) is 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is KGBNYHFXYDUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 217.07 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).