(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one

C13H18N4O2S — CID 68903366

IUPAC(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc2c(c(N[C@H]3CCC(=O)N(C)C3)n1)S(=O)CC2
InChIInChI=1S/C13H18N4O2S/c1-8-14-10-5-6-20(19)12(10)13(15-8)16-9-3-4-11(18)17(2)7-9/h9H,3-7H2,1-2H3,(H,14,15,16)/t9-,20?/m0/s1
InChIKeyAEPDMPMHJDHWPY-KMYGYIBBSA-N
MW294.38 g/mol
LogP0.48
Rot. Bonds2

About (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one

(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 68903366) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
PubChem CID68903366
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc2c(c(N[C@H]3CCC(=O)N(C)C3)n1)S(=O)CC2
InChIInChI=1S/C13H18N4O2S/c1-8-14-10-5-6-20(19)12(10)13(15-8)16-9-3-4-11(18)17(2)7-9/h9H,3-7H2,1-2H3,(H,14,15,16)/t9-,20?/m0/s1
InChIKeyAEPDMPMHJDHWPY-KMYGYIBBSA-N
XLogP0.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one (CID 68903366) is (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one is Cc1nc2c(c(N[C@H]3CCC(=O)N(C)C3)n1)S(=O)CC2.
What is the InChIKey of (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is AEPDMPMHJDHWPY-KMYGYIBBSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-14-10-5-6-20(19)12(10)13(15-8)16-9-3-4-11(18)17(2)7-9/h9H,3-7H2,1-2H3,(H,14,15,16)/t9-,20?/m0/s1.
What are the key properties of (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one?
(5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[(2-methyl-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 68903366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).