2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine

C10H12N4S — CID 78988898

IUPAC2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
SMILESCc1ccc(CNc2cncc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14)
InChIKeyPJNDTZYRHFZQSZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds3

About 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine

2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine (PubChem CID 78988898) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
PubChem CID78988898
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
SMILESCc1ccc(CNc2cncc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14)
InChIKeyPJNDTZYRHFZQSZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 66451675
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80818112
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80817701
2-N-benzylpyrazine-2,6-diamine
CID 70838336
2-N-ethylpyrazine-2,6-diamine
CID 69290778
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine (CID 78988898) is 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine is Cc1ccc(CNc2cncc(N)n2)s1.
What is the InChIKey of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
The InChIKey is PJNDTZYRHFZQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-2-3-8(15-7)4-13-10-6-12-5-9(11)14-10/h2-3,5-6H,4H2,1H3,(H3,11,13,14).
What are the key properties of 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine?
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).