(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one

C14H16N4OS — CID 133120755

IUPAC(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCN1C(=O)[C@@H]2CC[C@H]1CN(c1ncnc3ccsc13)C2
InChIInChI=1S/C14H16N4OS/c1-17-10-3-2-9(14(17)19)6-18(7-10)13-12-11(4-5-20-12)15-8-16-13/h4-5,8-10H,2-3,6-7H2,1H3/t9-,10+/m1/s1
InChIKeyXWODCLSOBFHCEH-ZJUUUORDSA-N
MW288.38 g/mol
LogP1.75
Rot. Bonds1

About (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 133120755) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID133120755
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCN1C(=O)[C@@H]2CC[C@H]1CN(c1ncnc3ccsc13)C2
InChIInChI=1S/C14H16N4OS/c1-17-10-3-2-9(14(17)19)6-18(7-10)13-12-11(4-5-20-12)15-8-16-13/h4-5,8-10H,2-3,6-7H2,1H3/t9-,10+/m1/s1
InChIKeyXWODCLSOBFHCEH-ZJUUUORDSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(2-(1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)ethyl)pivalamide
CID 71654993
N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 24561607
(4-Methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 47807285
(1-Thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)-thiomorpholin-4-ylmethanone
CID 53556410
7-Isopropyl-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72856370
2-(2-Methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72891070
7-(Cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72892268
(1R,5S)-6-(cyclopropylmethyl)-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 155555600
N-[2-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]ethyl]-N-methylacetamide
CID 156021775
(1S*,5R*)-6-(cyclopropylmethyl)-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72859729
1-(3-Cyclopropylpropanoyl)-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-6-ol
CID 74234387
1-Thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 35790074

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 133120755) is (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one is CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncnc3ccsc13)C2.
What is the InChIKey of (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is XWODCLSOBFHCEH-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-17-10-3-2-9(14(17)19)6-18(7-10)13-12-11(4-5-20-12)15-8-16-13/h4-5,8-10H,2-3,6-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 288.38 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methyl-3-thieno[3,2-d]pyrimidin-4-yl-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 133120755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).