1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one

C18H28N4O — CID 163314892

IUPAC1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(N(C)CC2CC(=O)N(C3CCCC3)C2)nc(C)c1C
InChIInChI=1S/C18H28N4O/c1-12-13(2)19-18(20-14(12)3)21(4)10-15-9-17(23)22(11-15)16-7-5-6-8-16/h15-16H,5-11H2,1-4H3
InChIKeyWXBKPHQDEHTXFK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 163314892) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID163314892
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(N(C)CC2CC(=O)N(C3CCCC3)C2)nc(C)c1C
InChIInChI=1S/C18H28N4O/c1-12-13(2)19-18(20-14(12)3)21(4)10-15-9-17(23)22(11-15)16-7-5-6-8-16/h15-16H,5-11H2,1-4H3
InChIKeyWXBKPHQDEHTXFK-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one (CID 163314892) is 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one is Cc1nc(N(C)CC2CC(=O)N(C3CCCC3)C2)nc(C)c1C.
What is the InChIKey of 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is WXBKPHQDEHTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-12-13(2)19-18(20-14(12)3)21(4)10-15-9-17(23)22(11-15)16-7-5-6-8-16/h15-16H,5-11H2,1-4H3.
What are the key properties of 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 163314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).