6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

C12H17N3S2 — CID 107765903

IUPAC6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(SCCC(C)C)nc(N)nc2s1
InChIInChI=1S/C12H17N3S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyOSHXPTWYGCQQAU-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.72
Rot. Bonds4

About 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 107765903) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID107765903
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(SCCC(C)C)nc(N)nc2s1
InChIInChI=1S/C12H17N3S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyOSHXPTWYGCQQAU-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
CID 107751336
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
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
6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334004
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (CID 107765903) is 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(SCCC(C)C)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OSHXPTWYGCQQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 107765903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).