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

C14H14N4S2 — CID 44591421

IUPAC5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1c(C)sc2ncnc(N/N=C\c3cccs3)c12
InChIInChI=1S/C14H14N4S2/c1-3-11-9(2)20-14-12(11)13(15-8-16-14)18-17-7-10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,15,16,18)/b17-7-
InChIKeyLKKXACSVISYPQT-IDUWFGFVSA-N
MW302.43 g/mol
LogP4.07
Rot. Bonds4

About 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44591421) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44591421
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1c(C)sc2ncnc(N/N=C\c3cccs3)c12
InChIInChI=1S/C14H14N4S2/c1-3-11-9(2)20-14-12(11)13(15-8-16-14)18-17-7-10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,15,16,18)/b17-7-
InChIKeyLKKXACSVISYPQT-IDUWFGFVSA-N
XLogP4.07
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 ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 44591421) is 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CCc1c(C)sc2ncnc(N/N=C\c3cccs3)c12.
What is the InChIKey of 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LKKXACSVISYPQT-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-3-11-9(2)20-14-12(11)13(15-8-16-14)18-17-7-10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,15,16,18)/b17-7-.
What are the key properties of 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).