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

C18H28N4O — CID 56901227

IUPAC1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCCc1nc(NC2CC(=O)N(CC3CCCCC3)C2)ncc1C
InChIInChI=1S/C18H28N4O/c1-3-16-13(2)10-19-18(21-16)20-15-9-17(23)22(12-15)11-14-7-5-4-6-8-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyHJYWEJSNEFQQRI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.94
Rot. Bonds5

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

1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one (PubChem CID 56901227) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
PubChem CID56901227
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCCc1nc(NC2CC(=O)N(CC3CCCCC3)C2)ncc1C
InChIInChI=1S/C18H28N4O/c1-3-16-13(2)10-19-18(21-16)20-15-9-17(23)22(12-15)11-14-7-5-4-6-8-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyHJYWEJSNEFQQRI-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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one (CID 56901227) is 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one is CCc1nc(NC2CC(=O)N(CC3CCCCC3)C2)ncc1C.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is HJYWEJSNEFQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-16-13(2)10-19-18(21-16)20-15-9-17(23)22(12-15)11-14-7-5-4-6-8-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one?
1-(cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-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-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 56901227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).