6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine

C14H17N3OS — CID 103331247

IUPAC6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
SMILESC#CCOc1nc(NCCC)nc2sc(CC)cc12
InChIInChI=1S/C14H17N3OS/c1-4-7-15-14-16-12(18-8-5-2)11-9-10(6-3)19-13(11)17-14/h2,9H,4,6-8H2,1,3H3,(H,15,16,17)
InChIKeyBIGHPJBTQIRVFG-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.09
Rot. Bonds6

About 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine

6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331247) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103331247
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
SMILESC#CCOc1nc(NCCC)nc2sc(CC)cc12
InChIInChI=1S/C14H17N3OS/c1-4-7-15-14-16-12(18-8-5-2)11-9-10(6-3)19-13(11)17-14/h2,9H,4,6-8H2,1,3H3,(H,15,16,17)
InChIKeyBIGHPJBTQIRVFG-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.09
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

6-ethyl-4-(2-methylbutan-2-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331306
4-N,4-N,6-triethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323820
4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103329501
4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103332325
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106795340
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine (CID 103331247) is 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine is C#CCOc1nc(NCCC)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BIGHPJBTQIRVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-7-15-14-16-12(18-8-5-2)11-9-10(6-3)19-13(11)17-14/h2,9H,4,6-8H2,1,3H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine?
6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).