1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C18H28N4O — CID 56885799

IUPAC1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cnc(C)nc1NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O/c1-3-15-10-19-13(2)20-18(15)21-16-9-17(23)22(12-16)11-14-7-5-4-6-8-14/h10,14,16H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeySHRWMPFDKXMQAP-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.94
Rot. Bonds5

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

1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 56885799) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID56885799
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cnc(C)nc1NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H28N4O/c1-3-15-10-19-13(2)20-18(15)21-16-9-17(23)22(12-16)11-14-7-5-4-6-8-14/h10,14,16H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeySHRWMPFDKXMQAP-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 56885799) is 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1cnc(C)nc1NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is SHRWMPFDKXMQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-15-10-19-13(2)20-18(15)21-16-9-17(23)22(12-16)11-14-7-5-4-6-8-14/h10,14,16H,3-9,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 56885799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).