(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C15H21N3O3S2 — CID 7080979

IUPAC(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@@H](C)C2
InChIInChI=1S/C15H21N3O3S2/c1-3-18-14(20)13-11(8-10(2)23-13)16-15(18)22-9-12(19)17-4-6-21-7-5-17/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeySHRXVYJACCCYQU-JTQLQIEISA-N
MW355.49 g/mol
LogP1.25
Rot. Bonds4

About (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7080979) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7080979
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@@H](C)C2
InChIInChI=1S/C15H21N3O3S2/c1-3-18-14(20)13-11(8-10(2)23-13)16-15(18)22-9-12(19)17-4-6-21-7-5-17/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeySHRXVYJACCCYQU-JTQLQIEISA-N
XLogP1.25
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7080979) is (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@@H](C)C2.
What is the InChIKey of (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is SHRXVYJACCCYQU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-3-18-14(20)13-11(8-10(2)23-13)16-15(18)22-9-12(19)17-4-6-21-7-5-17/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
(6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 355.49 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7080979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).