2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine

C11H15N3S2 — CID 103727732

IUPAC2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(C)Sc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H15N3S2/c1-3-4-7(2)16-11-13-9(12)8-5-6-15-10(8)14-11/h5-7H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyVBSCESHNSIFRGK-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.55
Rot. Bonds4

About 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine

2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103727732) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103727732
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(C)Sc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H15N3S2/c1-3-4-7(2)16-11-13-9(12)8-5-6-15-10(8)14-11/h5-7H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyVBSCESHNSIFRGK-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate
CID 64662166
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
CID 60699061
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 42891317
1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol
CID 107263338
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 37178860
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 64534932
2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 55111023
2-(butylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187720
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41236615
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
CID 41192192

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine (CID 103727732) is 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine is CCCC(C)Sc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VBSCESHNSIFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-3-4-7(2)16-11-13-9(12)8-5-6-15-10(8)14-11/h5-7H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine?
2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 253.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103727732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).