N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C25H35N5OS — CID 16553194

IUPACN-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)C(C)C
InChIInChI=1S/C25H35N5OS/c1-18(2)30(19(3)4)11-10-26-24-23-21(20-8-6-5-7-9-20)17-32-25(23)28-22(27-24)16-29-12-14-31-15-13-29/h5-9,17-19H,10-16H2,1-4H3,(H,26,27,28)
InChIKeyJKUSUOJAFITQBE-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.72
Rot. Bonds9

About N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 16553194) has the molecular formula C25H35N5OS and a molecular weight of 453.66 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID16553194
Molecular FormulaC25H35N5OS
Molecular Weight453.66 g/mol
Exact Mass453.26
IUPAC NameN-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)C(C)C
InChIInChI=1S/C25H35N5OS/c1-18(2)30(19(3)4)11-10-26-24-23-21(20-8-6-5-7-9-20)17-32-25(23)28-22(27-24)16-29-12-14-31-15-13-29/h5-9,17-19H,10-16H2,1-4H3,(H,26,27,28)
InChIKeyJKUSUOJAFITQBE-UHFFFAOYSA-N
XLogP4.72
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine 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-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 16553194) is N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)C(C)C.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is JKUSUOJAFITQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OS/c1-18(2)30(19(3)4)11-10-26-24-23-21(20-8-6-5-7-9-20)17-32-25(23)28-22(27-24)16-29-12-14-31-15-13-29/h5-9,17-19H,10-16H2,1-4H3,(H,26,27,28).
What are the key properties of N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 453.66 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 16553194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).