N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C24H30N4OS — CID 2408575

IUPACN-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCOCC4)nc(NC4CCCCCC4)c23)cc1
InChIInChI=1S/C24H30N4OS/c1-2-7-11-19(10-6-1)25-23-22-20(18-8-4-3-5-9-18)17-30-24(22)27-21(26-23)16-28-12-14-29-15-13-28/h3-5,8-9,17,19H,1-2,6-7,10-16H2,(H,25,26,27)
InChIKeyCQPUTVYCWJJCCC-UHFFFAOYSA-N
MW422.60 g/mol
LogP5.33
Rot. Bonds5

About N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2408575) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2408575
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC NameN-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCOCC4)nc(NC4CCCCCC4)c23)cc1
InChIInChI=1S/C24H30N4OS/c1-2-7-11-19(10-6-1)25-23-22-20(18-8-4-3-5-9-18)17-30-24(22)27-21(26-23)16-28-12-14-29-15-13-28/h3-5,8-9,17,19H,1-2,6-7,10-16H2,(H,25,26,27)
InChIKeyCQPUTVYCWJJCCC-UHFFFAOYSA-N
XLogP5.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-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-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2408575) is N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(CN4CCOCC4)nc(NC4CCCCCC4)c23)cc1.
What is the InChIKey of N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CQPUTVYCWJJCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-2-7-11-19(10-6-1)25-23-22-20(18-8-4-3-5-9-18)17-30-24(22)27-21(26-23)16-28-12-14-29-15-13-28/h3-5,8-9,17,19H,1-2,6-7,10-16H2,(H,25,26,27).
What are the key properties of N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 422.60 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2408575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).