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

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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).