(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C17H21N5O2S — CID 95788188

IUPAC(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1sc2ncnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2c1C
InChIInChI=1S/C17H21N5O2S/c1-9-10(2)25-14-12(9)13(18-8-19-14)22-6-4-11(5-7-22)17(3)15(23)20-16(24)21-17/h8,11H,4-7H2,1-3H3,(H2,20,21,23,24)/t17-/m0/s1
InChIKeyNYGAAOFMPDNQNH-KRWDZBQOSA-N
MW359.46 g/mol
LogP2.12
Rot. Bonds2

About (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 95788188) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID95788188
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1sc2ncnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2c1C
InChIInChI=1S/C17H21N5O2S/c1-9-10(2)25-14-12(9)13(18-8-19-14)22-6-4-11(5-7-22)17(3)15(23)20-16(24)21-17/h8,11H,4-7H2,1-3H3,(H2,20,21,23,24)/t17-/m0/s1
InChIKeyNYGAAOFMPDNQNH-KRWDZBQOSA-N
XLogP2.12
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 95788188) is (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is Cc1sc2ncnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2c1C.
What is the InChIKey of (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NYGAAOFMPDNQNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-9-10(2)25-14-12(9)13(18-8-19-14)22-6-4-11(5-7-22)17(3)15(23)20-16(24)21-17/h8,11H,4-7H2,1-3H3,(H2,20,21,23,24)/t17-/m0/s1.
What are the key properties of (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 359.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95788188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).