N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C10H11N3S2 — CID 80886717

IUPACN,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C)n1
InChIInChI=1S/C10H11N3S2/c1-7-12-8(11-2)6-9(13-7)15-10-4-3-5-14-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyQKKBLGITAGEJSF-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.04
Rot. Bonds3

About N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80886717) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80886717
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC NameN,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C)n1
InChIInChI=1S/C10H11N3S2/c1-7-12-8(11-2)6-9(13-7)15-10-4-3-5-14-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyQKKBLGITAGEJSF-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80886717) is N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CNc1cc(Sc2cccs2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is QKKBLGITAGEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-7-12-8(11-2)6-9(13-7)15-10-4-3-5-14-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80886717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).