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

C12H12N4S2 — CID 127037301

IUPACN,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C12H12N4S2/c1-16(2)12-10-8(18-9-4-3-5-17-9)6-13-11(10)14-7-15-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyVDYRHDAAUGVYJM-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.24
Rot. Bonds3

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

N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 127037301) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID127037301
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC NameN,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C12H12N4S2/c1-16(2)12-10-8(18-9-4-3-5-17-9)6-13-11(10)14-7-15-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyVDYRHDAAUGVYJM-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 127037301) is N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2[nH]cc(Sc3cccs3)c12.
What is the InChIKey of N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VDYRHDAAUGVYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-16(2)12-10-8(18-9-4-3-5-17-9)6-13-11(10)14-7-15-12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).