N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

C27H26N6OS — CID 70693305

IUPACN-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1
InChIInChI=1S/C27H26N6OS/c1-19-6-8-20(9-7-19)17-33-18-21(22-4-2-3-5-24(22)33)16-28-31-27-29-23-10-15-35-25(23)26(30-27)32-11-13-34-14-12-32/h2-10,15-16,18H,11-14,17H2,1H3,(H,29,30,31)/b28-16+
InChIKeyICIKDUZNAHFGKF-LQKURTRISA-N
MW482.61 g/mol
LogP5.29
Rot. Bonds6

About N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 70693305) has the molecular formula C27H26N6OS and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID70693305
Molecular FormulaC27H26N6OS
Molecular Weight482.61 g/mol
Exact Mass482.19
IUPAC NameN-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1
InChIInChI=1S/C27H26N6OS/c1-19-6-8-20(9-7-19)17-33-18-21(22-4-2-3-5-24(22)33)16-28-31-27-29-23-10-15-35-25(23)26(30-27)32-11-13-34-14-12-32/h2-10,15-16,18H,11-14,17H2,1H3,(H,29,30,31)/b28-16+
InChIKeyICIKDUZNAHFGKF-LQKURTRISA-N
XLogP5.29
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (CID 70693305) is N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is Cc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1.
What is the InChIKey of N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is ICIKDUZNAHFGKF-LQKURTRISA-N. The full InChI is InChI=1S/C27H26N6OS/c1-19-6-8-20(9-7-19)17-33-18-21(22-4-2-3-5-24(22)33)16-28-31-27-29-23-10-15-35-25(23)26(30-27)32-11-13-34-14-12-32/h2-10,15-16,18H,11-14,17H2,1H3,(H,29,30,31)/b28-16+.
What are the key properties of N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 482.61 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 70693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).