N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C26H27N5OS — CID 112795354

IUPACN-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCOCC4)nc(N(Cc4ccccn4)C4CC4)c23)cc1
InChIInChI=1S/C26H27N5OS/c1-2-6-19(7-3-1)22-18-33-26-24(22)25(28-23(29-26)17-30-12-14-32-15-13-30)31(21-9-10-21)16-20-8-4-5-11-27-20/h1-8,11,18,21H,9-10,12-17H2
InChIKeyZNMFFWDXLPADFG-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.75
Rot. Bonds7

About N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 112795354) has the molecular formula C26H27N5OS and a molecular weight of 457.60 g/mol. Its IUPAC name is N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID112795354
Molecular FormulaC26H27N5OS
Molecular Weight457.60 g/mol
Exact Mass457.19
IUPAC NameN-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(CN4CCOCC4)nc(N(Cc4ccccn4)C4CC4)c23)cc1
InChIInChI=1S/C26H27N5OS/c1-2-6-19(7-3-1)22-18-33-26-24(22)25(28-23(29-26)17-30-12-14-32-15-13-30)31(21-9-10-21)16-20-8-4-5-11-27-20/h1-8,11,18,21H,9-10,12-17H2
InChIKeyZNMFFWDXLPADFG-UHFFFAOYSA-N
XLogP4.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 32705656
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553286
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
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
4-[[5-phenyl-4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4842597
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2487092
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4788374
2-(morpholin-4-ylmethyl)-5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 16553174

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 112795354) is N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(CN4CCOCC4)nc(N(Cc4ccccn4)C4CC4)c23)cc1.
What is the InChIKey of N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNMFFWDXLPADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5OS/c1-2-6-19(7-3-1)22-18-33-26-24(22)25(28-23(29-26)17-30-12-14-32-15-13-30)31(21-9-10-21)16-20-8-4-5-11-27-20/h1-8,11,18,21H,9-10,12-17H2.
What are the key properties of N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 457.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(morpholin-4-ylmethyl)-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 112795354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).