N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C24H29N7OS — CID 55387484

IUPACN,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N(C)C(C)c3ccc(-n4cncn4)cc3)c2c1C
InChIInChI=1S/C24H29N7OS/c1-16-18(3)33-24-22(16)23(27-21(28-24)13-30-9-11-32-12-10-30)29(4)17(2)19-5-7-20(8-6-19)31-15-25-14-26-31/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyCRNRFEQIXMDKJG-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.92
Rot. Bonds6

About N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55387484) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID55387484
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC NameN,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N(C)C(C)c3ccc(-n4cncn4)cc3)c2c1C
InChIInChI=1S/C24H29N7OS/c1-16-18(3)33-24-22(16)23(27-21(28-24)13-30-9-11-32-12-10-30)29(4)17(2)19-5-7-20(8-6-19)31-15-25-14-26-31/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyCRNRFEQIXMDKJG-UHFFFAOYSA-N
XLogP3.92
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[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,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 55387484) is N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(N(C)C(C)c3ccc(-n4cncn4)cc3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CRNRFEQIXMDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-16-18(3)33-24-22(16)23(27-21(28-24)13-30-9-11-32-12-10-30)29(4)17(2)19-5-7-20(8-6-19)31-15-25-14-26-31/h5-8,14-15,17H,9-13H2,1-4H3.
What are the key properties of N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 463.61 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55387484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).