2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine

C12H15ClN4S — CID 78918157

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
SMILESCCNc1cncc(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C12H15ClN4S/c1-3-15-11-6-14-7-12(16-11)17(2)8-9-4-5-10(13)18-9/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeySUXAEIWCKOHSKO-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.26
Rot. Bonds5

About 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine (PubChem CID 78918157) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
PubChem CID78918157
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
SMILESCCNc1cncc(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C12H15ClN4S/c1-3-15-11-6-14-7-12(16-11)17(2)8-9-4-5-10(13)18-9/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeySUXAEIWCKOHSKO-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
6-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pyrazine-2,6-diamine
CID 78924800
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
CID 62179430
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80796320

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine (CID 78918157) is 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine is CCNc1cncc(N(C)Cc2ccc(Cl)s2)n1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine?
The InChIKey is SUXAEIWCKOHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-3-15-11-6-14-7-12(16-11)17(2)8-9-4-5-10(13)18-9/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine has a molecular weight of 282.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 78918157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).