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

C14H14N4S2 — CID 44591387

IUPAC6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C14H14N4S2/c1-9(2)12-6-11-13(15-8-16-14(11)20-12)18-17-7-10-4-3-5-19-10/h3-9H,1-2H3,(H,15,16,18)/b17-7-
InChIKeyAXXYHFLHGRQIPS-IDUWFGFVSA-N
MW302.43 g/mol
LogP4.32
Rot. Bonds4

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

6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44591387) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44591387
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C14H14N4S2/c1-9(2)12-6-11-13(15-8-16-14(11)20-12)18-17-7-10-4-3-5-19-10/h3-9H,1-2H3,(H,15,16,18)/b17-7-
InChIKeyAXXYHFLHGRQIPS-IDUWFGFVSA-N
XLogP4.32
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.32
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'}

Analyze 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-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-{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-{4-[5-(Fluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297674
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
5-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 2807642
(2,5-Dithiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 24898259
N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 90453198
N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2227334

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 44591387) is 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CC(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1.
What is the InChIKey of 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AXXYHFLHGRQIPS-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-9(2)12-6-11-13(15-8-16-14(11)20-12)18-17-7-10-4-3-5-19-10/h3-9H,1-2H3,(H,15,16,18)/b17-7-.
What are the key properties of 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44591387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).