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

C15H16N4S2 — CID 44591388

IUPAC6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C15H16N4S2/c1-15(2,3)12-7-11-13(16-9-17-14(11)21-12)19-18-8-10-5-4-6-20-10/h4-9H,1-3H3,(H,16,17,19)/b18-8-
InChIKeyUOYWQEBEYMCNFW-LSCVHKIXSA-N
MW316.46 g/mol
LogP4.50
Rot. Bonds3

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

6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44591388) has the molecular formula C15H16N4S2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44591388
Molecular FormulaC15H16N4S2
Molecular Weight316.46 g/mol
Exact Mass316.08
IUPAC Name6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1
InChIInChI=1S/C15H16N4S2/c1-15(2,3)12-7-11-13(16-9-17-14(11)21-12)19-18-8-10-5-4-6-20-10/h4-9H,1-3H3,(H,16,17,19)/b18-8-
InChIKeyUOYWQEBEYMCNFW-LSCVHKIXSA-N
XLogP4.50
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.50
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 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 44591388) is 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)c1cc2c(N/N=C\c3cccs3)ncnc2s1.
What is the InChIKey of 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UOYWQEBEYMCNFW-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-15(2,3)12-7-11-13(16-9-17-14(11)21-12)19-18-8-10-5-4-6-20-10/h4-9H,1-3H3,(H,16,17,19)/b18-8-.
What are the key properties of 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 316.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44591388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).