5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C12H15N3S2 — CID 80989981

IUPAC5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Sc1cccs1
InChIInChI=1S/C12H15N3S2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-5-4-6-16-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyUTBHKCGGHCHYEN-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.70
Rot. Bonds3

About 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80989981) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80989981
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Sc1cccs1
InChIInChI=1S/C12H15N3S2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-5-4-6-16-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyUTBHKCGGHCHYEN-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80989981) is 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1Sc1cccs1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is UTBHKCGGHCHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-5-4-6-16-9/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 265.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80989981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).