(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one

C17H26N4O — CID 95122565

IUPAC(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(C)nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-12-8-13(2)19-17(18-12)20(3)10-14-9-16(22)21(11-14)15-6-4-5-7-15/h8,14-15H,4-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeySKLUWBSCXVGFLR-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds4

About (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one (PubChem CID 95122565) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
PubChem CID95122565
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(C)nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-12-8-13(2)19-17(18-12)20(3)10-14-9-16(22)21(11-14)15-6-4-5-7-15/h8,14-15H,4-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeySKLUWBSCXVGFLR-AWEZNQCLSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 154564572
1-cyclopentyl-4-[[methyl(quinazolin-4-yl)amino]methyl]pyrrolidin-2-one
CID 135096336
(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 72854217
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 91839192
2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
CID 154565677
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one (CID 95122565) is (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one is Cc1cc(C)nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1.
What is the InChIKey of (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is SKLUWBSCXVGFLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-8-13(2)19-17(18-12)20(3)10-14-9-16(22)21(11-14)15-6-4-5-7-15/h8,14-15H,4-7,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).