4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine

C11H11N3OS — CID 106795448

IUPAC4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESC#CC(C)Oc1nc(NC)nc2sccc12
InChIInChI=1S/C11H11N3OS/c1-4-7(2)15-9-8-5-6-16-10(8)14-11(12-3)13-9/h1,5-7H,2-3H3,(H,12,13,14)
InChIKeyULJYKXRJLXTABQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.13
Rot. Bonds3

About 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine

4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 106795448) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID106795448
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESC#CC(C)Oc1nc(NC)nc2sccc12
InChIInChI=1S/C11H11N3OS/c1-4-7(2)15-9-8-5-6-16-10(8)14-11(12-3)13-9/h1,5-7H,2-3H3,(H,12,13,14)
InChIKeyULJYKXRJLXTABQ-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103331220
[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336356
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333385
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 106795448) is 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine is C#CC(C)Oc1nc(NC)nc2sccc12.
What is the InChIKey of 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ULJYKXRJLXTABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-4-7(2)15-9-8-5-6-16-10(8)14-11(12-3)13-9/h1,5-7H,2-3H3,(H,12,13,14).
What are the key properties of 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 233.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 106795448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).