7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H27N5O2S — CID 175644945

IUPAC7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1csc2c(N3CCC4(CCN(CCN5CCOCC5)C4=O)C3)ncnc12
InChIInChI=1S/C20H27N5O2S/c1-15-12-28-17-16(15)21-14-22-18(17)25-5-3-20(13-25)2-4-24(19(20)26)7-6-23-8-10-27-11-9-23/h12,14H,2-11,13H2,1H3
InChIKeyDLNQNCUZKWRFPI-UHFFFAOYSA-N
MW401.54 g/mol
LogP1.76
Rot. Bonds4

About 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175644945) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175644945
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1csc2c(N3CCC4(CCN(CCN5CCOCC5)C4=O)C3)ncnc12
InChIInChI=1S/C20H27N5O2S/c1-15-12-28-17-16(15)21-14-22-18(17)25-5-3-20(13-25)2-4-24(19(20)26)7-6-23-8-10-27-11-9-23/h12,14H,2-11,13H2,1H3
InChIKeyDLNQNCUZKWRFPI-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643087
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502798
4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 124829142
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
7-methyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686382
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
(1S,5R)-9-methyl-7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135116965

Frequently Asked Questions

What is the IUPAC name of 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175644945) is 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1csc2c(N3CCC4(CCN(CCN5CCOCC5)C4=O)C3)ncnc12.
What is the InChIKey of 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is DLNQNCUZKWRFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-15-12-28-17-16(15)21-14-22-18(17)25-5-3-20(13-25)2-4-24(19(20)26)7-6-23-8-10-27-11-9-23/h12,14H,2-11,13H2,1H3.
What are the key properties of 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 401.54 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175644945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).