N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine

C20H26N6OS — CID 37104729

IUPACN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCNc3ccccn3)c2c1C
InChIInChI=1S/C20H26N6OS/c1-14-15(2)28-20-18(14)19(23-8-7-22-16-5-3-4-6-21-16)24-17(25-20)13-26-9-11-27-12-10-26/h3-6H,7-13H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyYQEDCTVOOXQXFG-UHFFFAOYSA-N
MW398.54 g/mol
LogP3.06
Rot. Bonds7

About N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine

N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine (PubChem CID 37104729) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
PubChem CID37104729
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC NameN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCNc3ccccn3)c2c1C
InChIInChI=1S/C20H26N6OS/c1-14-15(2)28-20-18(14)19(23-8-7-22-16-5-3-4-6-21-16)24-17(25-20)13-26-9-11-27-12-10-26/h3-6H,7-13H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyYQEDCTVOOXQXFG-UHFFFAOYSA-N
XLogP3.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 16605817
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 18075011
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55521447
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
N-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661933
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
5,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60502717
1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol
CID 133323711
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746

Frequently Asked Questions

What is the IUPAC name of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine (CID 37104729) is N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine is Cc1sc2nc(CN3CCOCC3)nc(NCCNc3ccccn3)c2c1C.
What is the InChIKey of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine?
The InChIKey is YQEDCTVOOXQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-14-15(2)28-20-18(14)19(23-8-7-22-16-5-3-4-6-21-16)24-17(25-20)13-26-9-11-27-12-10-26/h3-6H,7-13H2,1-2H3,(H,21,22)(H,23,24,25).
What are the key properties of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine?
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine has a molecular weight of 398.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 37104729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).