4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C11H15N3S2 — CID 103334135

IUPAC4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)Sc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C11H15N3S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyDHGKBEVFFNJYBW-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.47
Rot. Bonds3

About 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine

4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334135) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334135
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)Sc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C11H15N3S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyDHGKBEVFFNJYBW-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
6-methyl-4-(2-propan-2-yloxyethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331522
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055
6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325150
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103334135) is 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine is CCC(C)Sc1nc(N)nc2sc(C)cc12.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DHGKBEVFFNJYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 253.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).