1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C16H20N4OS — CID 117084522

IUPAC1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)nc(-c2cccs2)n1
InChIInChI=1S/C16H20N4OS/c1-12-11-14(19-16(18-12)13-5-3-10-22-13)17-7-4-9-20-8-2-6-15(20)21/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,18,19)
InChIKeySZDYFUJDNJNSGD-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.94
Rot. Bonds6

About 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 117084522) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID117084522
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)nc(-c2cccs2)n1
InChIInChI=1S/C16H20N4OS/c1-12-11-14(19-16(18-12)13-5-3-10-22-13)17-7-4-9-20-8-2-6-15(20)21/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,18,19)
InChIKeySZDYFUJDNJNSGD-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.94
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

1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974
1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117089922
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117091420
1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290595

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 117084522) is 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1cc(NCCCN2CCCC2=O)nc(-c2cccs2)n1.
What is the InChIKey of 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is SZDYFUJDNJNSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-11-14(19-16(18-12)13-5-3-10-22-13)17-7-4-9-20-8-2-6-15(20)21/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,18,19).
What are the key properties of 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117084522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).