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

C15H15N5S — CID 44590975

IUPAC6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(N/N=C\c3cccnc3)ncnc2s1
InChIInChI=1S/C15H15N5S/c1-10(2)13-6-12-14(17-9-18-15(12)21-13)20-19-8-11-4-3-5-16-7-11/h3-10H,1-2H3,(H,17,18,20)/b19-8-
InChIKeyNGJKNGUIZPVOAG-UWVJOHFNSA-N
MW297.39 g/mol
LogP3.66
Rot. Bonds4

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

6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44590975) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44590975
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(N/N=C\c3cccnc3)ncnc2s1
InChIInChI=1S/C15H15N5S/c1-10(2)13-6-12-14(17-9-18-15(12)21-13)20-19-8-11-4-3-5-16-7-11/h3-10H,1-2H3,(H,17,18,20)/b19-8-
InChIKeyNGJKNGUIZPVOAG-UWVJOHFNSA-N
XLogP3.66
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.66
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-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 44590975) is 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is CC(C)c1cc2c(N/N=C\c3cccnc3)ncnc2s1.
What is the InChIKey of 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NGJKNGUIZPVOAG-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10(2)13-6-12-14(17-9-18-15(12)21-13)20-19-8-11-4-3-5-16-7-11/h3-10H,1-2H3,(H,17,18,20)/b19-8-.
What are the key properties of 6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-propan-2-yl-N-[(Z)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 3.66, 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)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44590975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).