2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C12H13N3S2 — CID 80963401

IUPAC2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H13N3S2/c1-13-9-7-10(17-11-3-2-6-16-11)15-12(14-9)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,14,15)
InChIKeyUTCNGALTFHAUOJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.61
Rot. Bonds4

About 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80963401) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80963401
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H13N3S2/c1-13-9-7-10(17-11-3-2-6-16-11)15-12(14-9)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,14,15)
InChIKeyUTCNGALTFHAUOJ-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80963401) is 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CNc1cc(Sc2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is UTCNGALTFHAUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-13-9-7-10(17-11-3-2-6-16-11)15-12(14-9)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80963401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).