5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine

C11H12Br2N4S — CID 106043160

IUPAC5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCc2ccc(Br)s2)c1Br
InChIInChI=1S/C11H12Br2N4S/c1-14-10-9(13)11(17-6-16-10)15-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17)
InChIKeyAVLNULNFISRCJC-UHFFFAOYSA-N
MW392.12 g/mol
LogP3.76
Rot. Bonds5

About 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106043160) has the molecular formula C11H12Br2N4S and a molecular weight of 392.12 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID106043160
Molecular FormulaC11H12Br2N4S
Molecular Weight392.12 g/mol
Exact Mass389.91
IUPAC Name5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCc2ccc(Br)s2)c1Br
InChIInChI=1S/C11H12Br2N4S/c1-14-10-9(13)11(17-6-16-10)15-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17)
InChIKeyAVLNULNFISRCJC-UHFFFAOYSA-N
XLogP3.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 106043147
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 113234131
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
4-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106043042
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 106043160) is 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(NCCc2ccc(Br)s2)c1Br.
What is the InChIKey of 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is AVLNULNFISRCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4S/c1-14-10-9(13)11(17-6-16-10)15-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 392.12 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106043160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).