7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine

C26H28N6O2S — CID 52931837

IUPAC7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1cc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)ccc1CN1CCOCC1
InChIInChI=1S/C26H28N6O2S/c1-3-20(4-2-19(1)17-31-7-11-33-12-8-31)22-18-35-23-16-28-26(30-25(22)23)29-21-5-6-24(27-15-21)32-9-13-34-14-10-32/h1-6,15-16,18H,7-14,17H2,(H,28,29,30)
InChIKeyUAWTWDOHQSIVQZ-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.17
Rot. Bonds6

About 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine

7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 52931837) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID52931837
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC Name7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1cc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)ccc1CN1CCOCC1
InChIInChI=1S/C26H28N6O2S/c1-3-20(4-2-19(1)17-31-7-11-33-12-8-31)22-18-35-23-16-28-26(30-25(22)23)29-21-5-6-24(27-15-21)32-9-13-34-14-10-32/h1-6,15-16,18H,7-14,17H2,(H,28,29,30)
InChIKeyUAWTWDOHQSIVQZ-UHFFFAOYSA-N
XLogP4.17
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine
CID 146619869
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N-(6-morpholin-4-yl-3-pyridinyl)-8-pyridin-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 118162872
N-tert-butyl-2-cyano-N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]-5-[2-[4-(morpholin-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-7-yl]cyclohexa-1,3-dien-1-yl]acetamide
CID 154960566
4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 141299425
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261

Frequently Asked Questions

What is the IUPAC name of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine (CID 52931837) is 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine is c1cc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)ccc1CN1CCOCC1.
What is the InChIKey of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is UAWTWDOHQSIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-3-20(4-2-19(1)17-31-7-11-33-12-8-31)22-18-35-23-16-28-26(30-25(22)23)29-21-5-6-24(27-15-21)32-9-13-34-14-10-32/h1-6,15-16,18H,7-14,17H2,(H,28,29,30).
What are the key properties of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine?
7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 488.62 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 52931837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).