4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine

C14H19N3OS — CID 103332325

IUPAC4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
SMILESC/C=C/COc1nc(NCC)nc2sc(CC)cc12
InChIInChI=1S/C14H19N3OS/c1-4-7-8-18-12-11-9-10(5-2)19-13(11)17-14(16-12)15-6-3/h4,7,9H,5-6,8H2,1-3H3,(H,15,16,17)/b7-4+
InChIKeyKSHCSAHIRZESJP-QPJJXVBHSA-N
MW277.39 g/mol
LogP3.64
Rot. Bonds6

About 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine

4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332325) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332325
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
SMILESC/C=C/COc1nc(NCC)nc2sc(CC)cc12
InChIInChI=1S/C14H19N3OS/c1-4-7-8-18-12-11-9-10(5-2)19-13(11)17-14(16-12)15-6-3/h4,7,9H,5-6,8H2,1-3H3,(H,15,16,17)/b7-4+
InChIKeyKSHCSAHIRZESJP-QPJJXVBHSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331247
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
6-ethyl-4-(2-methylbutan-2-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331306
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025
N,6-diethyl-4-(2-ethylimidazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331057
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine (CID 103332325) is 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine is C/C=C/COc1nc(NCC)nc2sc(CC)cc12.
What is the InChIKey of 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KSHCSAHIRZESJP-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-7-8-18-12-11-9-10(5-2)19-13(11)17-14(16-12)15-6-3/h4,7,9H,5-6,8H2,1-3H3,(H,15,16,17)/b7-4+.
What are the key properties of 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine?
4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-N,6-diethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).