N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

C18H19N5OS — CID 71557963

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C18H19N5OS/c1-13-2-4-14(5-3-13)12-19-22-18-20-15-6-11-25-16(15)17(21-18)23-7-9-24-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,20,21,22)/b19-12+
InChIKeyQAEBRVBWELFLIJ-XDHOZWIPSA-N
MW353.45 g/mol
LogP3.28
Rot. Bonds4

About N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 71557963) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID71557963
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C18H19N5OS/c1-13-2-4-14(5-3-13)12-19-22-18-20-15-6-11-25-16(15)17(21-18)23-7-9-24-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,20,21,22)/b19-12+
InChIKeyQAEBRVBWELFLIJ-XDHOZWIPSA-N
XLogP3.28
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (CID 71557963) is N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is Cc1ccc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is QAEBRVBWELFLIJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-2-4-14(5-3-13)12-19-22-18-20-15-6-11-25-16(15)17(21-18)23-7-9-24-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,20,21,22)/b19-12+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71557963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).