5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine

C12H14BrClN4S — CID 106042391

IUPAC5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccc(Cl)s2)c1Br
InChIInChI=1S/C12H14BrClN4S/c1-2-15-11-10(13)12(18-7-17-11)16-6-5-8-3-4-9(14)19-8/h3-4,7H,2,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyYTPPQCJUXKZSNC-UHFFFAOYSA-N
MW361.70 g/mol
LogP4.04
Rot. Bonds6

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

5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 106042391) has the molecular formula C12H14BrClN4S and a molecular weight of 361.70 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
PubChem CID106042391
Molecular FormulaC12H14BrClN4S
Molecular Weight361.70 g/mol
Exact Mass359.98
IUPAC Name5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccc(Cl)s2)c1Br
InChIInChI=1S/C12H14BrClN4S/c1-2-15-11-10(13)12(18-7-17-11)16-6-5-8-3-4-9(14)19-8/h3-4,7H,2,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyYTPPQCJUXKZSNC-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
CID 112843876
4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 106043147
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 106042487
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874
3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 106034912
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 114073380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine (CID 106042391) is 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine is CCNc1ncnc(NCCc2ccc(Cl)s2)c1Br.
What is the InChIKey of 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is YTPPQCJUXKZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4S/c1-2-15-11-10(13)12(18-7-17-11)16-6-5-8-3-4-9(14)19-8/h3-4,7H,2,5-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine?
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 361.70 g/mol, XLogP of 4.04, 6 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-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106042391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).