N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H10N4S2 — CID 127037302

IUPACN-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C11H10N4S2/c1-12-10-9-7(17-8-3-2-4-16-8)5-13-11(9)15-6-14-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyKGIRQRMRGJESOO-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 127037302) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID127037302
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC NameN-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C11H10N4S2/c1-12-10-9-7(17-8-3-2-4-16-8)5-13-11(9)15-6-14-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyKGIRQRMRGJESOO-UHFFFAOYSA-N
XLogP3.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 127037302) is N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1ncnc2[nH]cc(Sc3cccs3)c12.
What is the InChIKey of N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KGIRQRMRGJESOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-12-10-9-7(17-8-3-2-4-16-8)5-13-11(9)15-6-14-10/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127037302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).