1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C19H19ClN4OS — CID 9104532

IUPAC1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-14-6-4-13(5-7-14)16-11-15-18(26-16)19(23-12-22-15)21-8-2-10-24-9-1-3-17(24)25/h4-7,11-12H,1-3,8-10H2,(H,21,22,23)
InChIKeyBZMWZUSIVRBHEJ-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.44
Rot. Bonds6

About 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 9104532) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID9104532
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-14-6-4-13(5-7-14)16-11-15-18(26-16)19(23-12-22-15)21-8-2-10-24-9-1-3-17(24)25/h4-7,11-12H,1-3,8-10H2,(H,21,22,23)
InChIKeyBZMWZUSIVRBHEJ-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.44
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

6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 16776537
6-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 167950243
6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 133293089
1-[3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 154075459
1-[3-[[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 59354660
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133400003
1-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]piperidin-2-one
CID 155269816
1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117089922
N-cycloheptyl-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42189852
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 9104532) is 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is BZMWZUSIVRBHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-14-6-4-13(5-7-14)16-11-15-18(26-16)19(23-12-22-15)21-8-2-10-24-9-1-3-17(24)25/h4-7,11-12H,1-3,8-10H2,(H,21,22,23).
What are the key properties of 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 386.91 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 9104532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).