1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C14H18N4OS — CID 154075459

IUPAC1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1csc2ncnc(NCCCN3CCCC3=O)c12
InChIInChI=1S/C14H18N4OS/c1-10-8-20-14-12(10)13(16-9-17-14)15-5-3-7-18-6-2-4-11(18)19/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyRBUOLHDEQUBZEZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.42
Rot. Bonds5

About 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 154075459) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID154075459
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1csc2ncnc(NCCCN3CCCC3=O)c12
InChIInChI=1S/C14H18N4OS/c1-10-8-20-14-12(10)13(16-9-17-14)15-5-3-7-18-6-2-4-11(18)19/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyRBUOLHDEQUBZEZ-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42189852
1-[3-[[6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 42344329
N-cyclohexyl-N,5-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42342132
1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117089922
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-[3-[[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 4580981
1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 4684625
1-[3-[[2-chloro-5-(dimethylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21081039
5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 167874941
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
1-[3-[[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 4557199
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 154075459) is 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1csc2ncnc(NCCCN3CCCC3=O)c12.
What is the InChIKey of 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is RBUOLHDEQUBZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-8-20-14-12(10)13(16-9-17-14)15-5-3-7-18-6-2-4-11(18)19/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 290.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 154075459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).