5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine

C20H31N5S — CID 58804411

IUPAC5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(N(C)C)ccc1-c1nc(SC)c(NC(CC)CC)nc1C
InChIInChI=1S/C20H31N5S/c1-8-14(9-2)22-19-20(26-7)24-18(13(4)21-19)15-11-12-17(25(5)6)23-16(15)10-3/h11-12,14H,8-10H2,1-7H3,(H,21,22)
InChIKeyKJORMUYRNJEYMH-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.80
Rot. Bonds8

About 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine

5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804411) has the molecular formula C20H31N5S and a molecular weight of 373.57 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804411
Molecular FormulaC20H31N5S
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(N(C)C)ccc1-c1nc(SC)c(NC(CC)CC)nc1C
InChIInChI=1S/C20H31N5S/c1-8-14(9-2)22-19-20(26-7)24-18(13(4)21-19)15-11-12-17(25(5)6)23-16(15)10-3/h11-12,14H,8-10H2,1-7H3,(H,21,22)
InChIKeyKJORMUYRNJEYMH-UHFFFAOYSA-N
XLogP4.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine with MolForge

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Related Compounds

3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804486
5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
CID 10020281
5-(3,6-dimethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-ethyl-N,N-dimethylpyridin-2-amine
CID 143015233
5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
5-[6-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(methoxymethyl)-N-pentan-3-ylpyrazin-2-amine
CID 91157231
5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804528
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 71168153
2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine
CID 58816501
3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595048
N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
CID 91530956
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534

Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine (CID 58804411) is 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(N(C)C)ccc1-c1nc(SC)c(NC(CC)CC)nc1C.
What is the InChIKey of 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is KJORMUYRNJEYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5S/c1-8-14(9-2)22-19-20(26-7)24-18(13(4)21-19)15-11-12-17(25(5)6)23-16(15)10-3/h11-12,14H,8-10H2,1-7H3,(H,21,22).
What are the key properties of 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine?
5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 373.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).