1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione

C17H20N2O2S — CID 95317766

IUPAC1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione
SMILESCn1c(CS[C@H]2CCCc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N2O2S/c1-18-13(10-16(20)19(2)17(18)21)11-22-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1
InChIKeyCCSIAERJDYKNEP-HNNXBMFYSA-N
MW316.43 g/mol
LogP2.39
Rot. Bonds3

About 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione (PubChem CID 95317766) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione
PubChem CID95317766
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione
SMILESCn1c(CS[C@H]2CCCc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N2O2S/c1-18-13(10-16(20)19(2)17(18)21)11-22-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1
InChIKeyCCSIAERJDYKNEP-HNNXBMFYSA-N
XLogP2.39
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione (CID 95317766) is 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione is Cn1c(CS[C@H]2CCCc3ccccc32)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione?
The InChIKey is CCSIAERJDYKNEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18-13(10-16(20)19(2)17(18)21)11-22-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione has a molecular weight of 316.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95317766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).