(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine

C11H13N3OS — CID 104515940

IUPAC(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCOc1nccnc1C(N)c1cscc1C
InChIInChI=1S/C11H13N3OS/c1-7-5-16-6-8(7)9(12)10-11(15-2)14-4-3-13-10/h3-6,9H,12H2,1-2H3
InChIKeyOBTAFUPIDZSFAQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.90
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine

(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 104515940) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine
PubChem CID104515940
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCOc1nccnc1C(N)c1cscc1C
InChIInChI=1S/C11H13N3OS/c1-7-5-16-6-8(7)9(12)10-11(15-2)14-4-3-13-10/h3-6,9H,12H2,1-2H3
InChIKeyOBTAFUPIDZSFAQ-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105178660
(2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515551
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105032053
(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 107538859
(5-chlorothiophen-2-yl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031917
(3-methoxypyrazin-2-yl)-pyrimidin-4-ylmethanamine
CID 104515599
1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 79808047
2-methoxy-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104515873
2-(1-methoxycyclobutyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 103559774
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine (CID 104515940) is (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine is COc1nccnc1C(N)c1cscc1C.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is OBTAFUPIDZSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-5-16-6-8(7)9(12)10-11(15-2)14-4-3-13-10/h3-6,9H,12H2,1-2H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine?
(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104515940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).