3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

C18H22N6OS — CID 129476201

IUPAC3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCc1nc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c2c(C)csc2n1
InChIInChI=1S/C18H22N6OS/c1-11-10-26-17-14(11)15(20-12(2)21-17)22-13-5-4-7-24(9-13)16-18(25)23(3)8-6-19-16/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,20,21,22)/t13-/m0/s1
InChIKeySWEJRRBPGDDWDA-ZDUSSCGKSA-N
MW370.48 g/mol
LogP2.48
Rot. Bonds3

About 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129476201) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129476201
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCc1nc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c2c(C)csc2n1
InChIInChI=1S/C18H22N6OS/c1-11-10-26-17-14(11)15(20-12(2)21-17)22-13-5-4-7-24(9-13)16-18(25)23(3)8-6-19-16/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,20,21,22)/t13-/m0/s1
InChIKeySWEJRRBPGDDWDA-ZDUSSCGKSA-N
XLogP2.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133492865
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129331540
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
CID 129343150
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 129476201) is 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is Cc1nc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c2c(C)csc2n1.
What is the InChIKey of 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is SWEJRRBPGDDWDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-11-10-26-17-14(11)15(20-12(2)21-17)22-13-5-4-7-24(9-13)16-18(25)23(3)8-6-19-16/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 370.48 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129476201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).