3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine

C11H12ClN3S — CID 65245690

IUPAC3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1cc(CNc2nccnc2Cl)sc1C
InChIInChI=1S/C11H12ClN3S/c1-7-5-9(16-8(7)2)6-15-11-10(12)13-3-4-14-11/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyBEAPGPZACMPGFF-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.42
Rot. Bonds3

About 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine

3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 65245690) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID65245690
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1cc(CNc2nccnc2Cl)sc1C
InChIInChI=1S/C11H12ClN3S/c1-7-5-9(16-8(7)2)6-15-11-10(12)13-3-4-14-11/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyBEAPGPZACMPGFF-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine (CID 65245690) is 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine is Cc1cc(CNc2nccnc2Cl)sc1C.
What is the InChIKey of 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is BEAPGPZACMPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-5-9(16-8(7)2)6-15-11-10(12)13-3-4-14-11/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 65245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).