4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C14H17N3OS — CID 106795340

IUPAC4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESC#CC(C)Oc1nc(NCCC)nc2sc(C)cc12
InChIInChI=1S/C14H17N3OS/c1-5-7-15-14-16-12(18-9(3)6-2)11-8-10(4)19-13(11)17-14/h2,8-9H,5,7H2,1,3-4H3,(H,15,16,17)
InChIKeyICBOQSWKPUSCLH-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.22
Rot. Bonds5

About 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 106795340) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID106795340
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESC#CC(C)Oc1nc(NCCC)nc2sc(C)cc12
InChIInChI=1S/C14H17N3OS/c1-5-7-15-14-16-12(18-9(3)6-2)11-8-10(4)19-13(11)17-14/h2,8-9H,5,7H2,1,3-4H3,(H,15,16,17)
InChIKeyICBOQSWKPUSCLH-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methoxypropan-2-yloxy)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332606
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
6-methyl-4-(oxolan-3-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332717
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331247
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327093
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 106795340) is 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is C#CC(C)Oc1nc(NCCC)nc2sc(C)cc12.
What is the InChIKey of 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ICBOQSWKPUSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-5-7-15-14-16-12(18-9(3)6-2)11-8-10(4)19-13(11)17-14/h2,8-9H,5,7H2,1,3-4H3,(H,15,16,17).
What are the key properties of 4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 3.22, 5 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-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 106795340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).