(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H23N5OS — CID 97201141

IUPAC(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(c1ncnc3ccsc13)CCN2C
InChIInChI=1S/C17H23N5OS/c1-20-7-6-17(5-3-14(20)23)11-22(9-8-21(17)2)16-15-13(4-10-24-15)18-12-19-16/h4,10,12H,3,5-9,11H2,1-2H3/t17-/m0/s1
InChIKeySETQNSUGVWAMIS-KRWDZBQOSA-N
MW345.47 g/mol
LogP1.82
Rot. Bonds1

About (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97201141) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97201141
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(c1ncnc3ccsc13)CCN2C
InChIInChI=1S/C17H23N5OS/c1-20-7-6-17(5-3-14(20)23)11-22(9-8-21(17)2)16-15-13(4-10-24-15)18-12-19-16/h4,10,12H,3,5-9,11H2,1-2H3/t17-/m0/s1
InChIKeySETQNSUGVWAMIS-KRWDZBQOSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97201141) is (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CC[C@@]2(CCC1=O)CN(c1ncnc3ccsc13)CCN2C.
What is the InChIKey of (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is SETQNSUGVWAMIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-20-7-6-17(5-3-14(20)23)11-22(9-8-21(17)2)16-15-13(4-10-24-15)18-12-19-16/h4,10,12H,3,5-9,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 345.47 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97201141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).