cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone

C19H26N4OS — CID 127909638

IUPACcyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1nc(NC2CCN(C(=O)C3CCCCC3)C2)c2c(C)csc2n1
InChIInChI=1S/C19H26N4OS/c1-12-11-25-18-16(12)17(20-13(2)21-18)22-15-8-9-23(10-15)19(24)14-6-4-3-5-7-14/h11,14-15H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyJXUSDVFBUHMLQP-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.90
Rot. Bonds3

About cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone

cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 127909638) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID127909638
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namecyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1nc(NC2CCN(C(=O)C3CCCCC3)C2)c2c(C)csc2n1
InChIInChI=1S/C19H26N4OS/c1-12-11-25-18-16(12)17(20-13(2)21-18)22-15-8-9-23(10-15)19(24)14-6-4-3-5-7-14/h11,14-15H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyJXUSDVFBUHMLQP-UHFFFAOYSA-N
XLogP3.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133472550
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367481
methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133484605
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133386677
[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366822
2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133490977
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone (CID 127909638) is cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone is Cc1nc(NC2CCN(C(=O)C3CCCCC3)C2)c2c(C)csc2n1.
What is the InChIKey of cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is JXUSDVFBUHMLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-12-11-25-18-16(12)17(20-13(2)21-18)22-15-8-9-23(10-15)19(24)14-6-4-3-5-7-14/h11,14-15H,3-10H2,1-2H3,(H,20,21,22).
What are the key properties of cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone?
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127909638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).