6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

C13H12N4S2 — CID 5332196

IUPAC6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C13H12N4S2/c1-2-9-6-11-12(14-8-15-13(11)19-9)17-16-7-10-4-3-5-18-10/h3-8H,2H2,1H3,(H,14,15,17)/b16-7-
InChIKeyBHABJYARNDNSGM-APSNUPSMSA-N
MW288.40 g/mol
LogP3.76
Rot. Bonds4

About 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 5332196) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID5332196
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C13H12N4S2/c1-2-9-6-11-12(14-8-15-13(11)19-9)17-16-7-10-4-3-5-18-10/h3-8H,2H2,1H3,(H,14,15,17)/b16-7-
InChIKeyBHABJYARNDNSGM-APSNUPSMSA-N
XLogP3.76
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-{4-[5-(Difluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297462
6-(2,2,2-Trifluoroethyl)-4-{4-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}thieno[2,3-D]pyrimidine
CID 86297465
4-[4-(5-Methyl-1,3,4-Thiadiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 90453086
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
4-{4-[5-(Fluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297674
N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2972450
2-(Methylsulfanyl)-6-(3-thienyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1482342
N-(2-(thiophen-2-yl)ethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
CID 727593
[(6-Ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetonitrile
CID 2203207
4-ethyl-3-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 2559955
5-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 2807642

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 5332196) is 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N/N=C\c3cccs3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BHABJYARNDNSGM-APSNUPSMSA-N. The full InChI is InChI=1S/C13H12N4S2/c1-2-9-6-11-12(14-8-15-13(11)19-9)17-16-7-10-4-3-5-18-10/h3-8H,2H2,1H3,(H,14,15,17)/b16-7-.
What are the key properties of 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5332196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).