5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C15H19N5S2 — CID 87009391

IUPAC5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(SCCCc3cnn(C)c3)nc(N)c2c1C
InChIInChI=1S/C15H19N5S2/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)21-6-4-5-11-7-17-20(3)8-11/h7-8H,4-6H2,1-3H3,(H2,16,18,19)
InChIKeyNNVLPQJAGCEJRX-UHFFFAOYSA-N
MW333.49 g/mol
LogP3.35
Rot. Bonds5

About 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 87009391) has the molecular formula C15H19N5S2 and a molecular weight of 333.49 g/mol. Its IUPAC name is 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID87009391
Molecular FormulaC15H19N5S2
Molecular Weight333.49 g/mol
Exact Mass333.11
IUPAC Name5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(SCCCc3cnn(C)c3)nc(N)c2c1C
InChIInChI=1S/C15H19N5S2/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)21-6-4-5-11-7-17-20(3)8-11/h7-8H,4-6H2,1-3H3,(H2,16,18,19)
InChIKeyNNVLPQJAGCEJRX-UHFFFAOYSA-N
XLogP3.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidine
CID 87037559
2-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 87037558
5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 650599
4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 111537082
5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 169049669
2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43056130
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43058571
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 55578363
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(benzylcarbamoyl)acetamide
CID 55572015
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 56521339

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 87009391) is 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(SCCCc3cnn(C)c3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NNVLPQJAGCEJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S2/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)21-6-4-5-11-7-17-20(3)8-11/h7-8H,4-6H2,1-3H3,(H2,16,18,19).
What are the key properties of 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).