1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

C23H24N4O2S — CID 133417765

IUPAC1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CCC(N3C(=O)CCC3=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H24N4O2S/c1-14-24-22(21-18(13-30-23(21)25-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)27-19(28)11-12-20(27)29/h2-6,13,16-17H,7-12H2,1H3,(H,24,25,26)
InChIKeyNQDYPFGLJJUGIJ-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 133417765) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
PubChem CID133417765
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CCC(N3C(=O)CCC3=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H24N4O2S/c1-14-24-22(21-18(13-30-23(21)25-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)27-19(28)11-12-20(27)29/h2-6,13,16-17H,7-12H2,1H3,(H,24,25,26)
InChIKeyNQDYPFGLJJUGIJ-UHFFFAOYSA-N
XLogP4.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
CID 97246173
2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133281591
2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 28851890
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
2-[(dimethylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278793
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
N-[(3R)-1,1-dioxothiolan-3-yl]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 41138262
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (CID 133417765) is 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is Cc1nc(NC2CCC(N3C(=O)CCC3=O)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is NQDYPFGLJJUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14-24-22(21-18(13-30-23(21)25-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)27-19(28)11-12-20(27)29/h2-6,13,16-17H,7-12H2,1H3,(H,24,25,26).
What are the key properties of 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 420.54 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 133417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).