(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C17H26N4O — CID 95127164

IUPAC(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCc1cnc(C)nc1NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H26N4O/c1-3-14-10-18-12(2)20-17(14)19-9-13-8-16(22)21(11-13)15-6-4-5-7-15/h10,13,15H,3-9,11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyRXQXPGAATAKHLA-ZDUSSCGKSA-N
MW302.42 g/mol
LogP2.55
Rot. Bonds5

About (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95127164) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95127164
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCc1cnc(C)nc1NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H26N4O/c1-3-14-10-18-12(2)20-17(14)19-9-13-8-16(22)21(11-13)15-6-4-5-7-15/h10,13,15H,3-9,11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyRXQXPGAATAKHLA-ZDUSSCGKSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 95127164) is (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is CCc1cnc(C)nc1NC[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is RXQXPGAATAKHLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-14-10-18-12(2)20-17(14)19-9-13-8-16(22)21(11-13)15-6-4-5-7-15/h10,13,15H,3-9,11H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95127164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).