1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one

C19H30N4O — CID 74233085

IUPAC1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1ncc(CN(C)CC2CC(=O)N(C3CCCC3)C2)cn1
InChIInChI=1S/C19H30N4O/c1-14(2)19-20-9-16(10-21-19)12-22(3)11-15-8-18(24)23(13-15)17-6-4-5-7-17/h9-10,14-15,17H,4-8,11-13H2,1-3H3
InChIKeyORZQIGCQOJFURM-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.82
Rot. Bonds6

About 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 74233085) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
PubChem CID74233085
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1ncc(CN(C)CC2CC(=O)N(C3CCCC3)C2)cn1
InChIInChI=1S/C19H30N4O/c1-14(2)19-20-9-16(10-21-19)12-22(3)11-15-8-18(24)23(13-15)17-6-4-5-7-17/h9-10,14-15,17H,4-8,11-13H2,1-3H3
InChIKeyORZQIGCQOJFURM-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 124849465
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 91839192
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
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
4-[[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 46993373
(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 99927619
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 154564572
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one (CID 74233085) is 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one is CC(C)c1ncc(CN(C)CC2CC(=O)N(C3CCCC3)C2)cn1.
What is the InChIKey of 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is ORZQIGCQOJFURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)19-20-9-16(10-21-19)12-22(3)11-15-8-18(24)23(13-15)17-6-4-5-7-17/h9-10,14-15,17H,4-8,11-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 330.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 74233085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).