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

C16H17N5S — CID 44591092

IUPAC6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C\c3ccccn3)ncnc2s1
InChIInChI=1S/C16H17N5S/c1-16(2,3)13-8-12-14(18-10-19-15(12)22-13)21-20-9-11-6-4-5-7-17-11/h4-10H,1-3H3,(H,18,19,21)/b20-9-
InChIKeyANZSEPKIYODWHS-UKWGHVSLSA-N
MW311.41 g/mol
LogP3.83
Rot. Bonds3

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

6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44591092) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44591092
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(N/N=C\c3ccccn3)ncnc2s1
InChIInChI=1S/C16H17N5S/c1-16(2,3)13-8-12-14(18-10-19-15(12)22-13)21-20-9-11-6-4-5-7-17-11/h4-10H,1-3H3,(H,18,19,21)/b20-9-
InChIKeyANZSEPKIYODWHS-UKWGHVSLSA-N
XLogP3.83
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.83
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)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 44591092) is 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)c1cc2c(N/N=C\c3ccccn3)ncnc2s1.
What is the InChIKey of 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ANZSEPKIYODWHS-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H17N5S/c1-16(2,3)13-8-12-14(18-10-19-15(12)22-13)21-20-9-11-6-4-5-7-17-11/h4-10H,1-3H3,(H,18,19,21)/b20-9-.
What are the key properties of 6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.83, 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)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44591092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).