5-bromo-2-N-ethylpyrimidine-2,4-diamine

C6H9BrN4 — CID 80797744

IUPAC5-bromo-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N)n1
InChIInChI=1S/C6H9BrN4/c1-2-9-6-10-3-4(7)5(8)11-6/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyIPEGKHJOHOKEFE-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.25
Rot. Bonds2

About 5-bromo-2-N-ethylpyrimidine-2,4-diamine

5-bromo-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80797744) has the molecular formula C6H9BrN4 and a molecular weight of 217.07 g/mol. Its IUPAC name is 5-bromo-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80797744
Molecular FormulaC6H9BrN4
Molecular Weight217.07 g/mol
Exact Mass216.00
IUPAC Name5-bromo-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N)n1
InChIInChI=1S/C6H9BrN4/c1-2-9-6-10-3-4(7)5(8)11-6/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyIPEGKHJOHOKEFE-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-[2-(dimethylamino)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 66904138
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80811705
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethylpyrimidine-2,4-diamine (CID 80797744) is 5-bromo-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is IPEGKHJOHOKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4/c1-2-9-6-10-3-4(7)5(8)11-6/h3H,2H2,1H3,(H3,8,9,10,11).
What are the key properties of 5-bromo-2-N-ethylpyrimidine-2,4-diamine?
5-bromo-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 217.07 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80797744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).