1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C18H30N4O — CID 50965963

IUPAC1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-7-8-15-19-13(2)9-16(20-15)21(6)11-14-10-17(23)22(12-14)18(3,4)5/h9,14H,7-8,10-12H2,1-6H3
InChIKeyTVZVNYIMRPLDFJ-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.82
Rot. Bonds5

About 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 50965963) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID50965963
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-7-8-15-19-13(2)9-16(20-15)21(6)11-14-10-17(23)22(12-14)18(3,4)5/h9,14H,7-8,10-12H2,1-6H3
InChIKeyTVZVNYIMRPLDFJ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
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-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 50965963) is 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is CCCc1nc(C)cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is TVZVNYIMRPLDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-7-8-15-19-13(2)9-16(20-15)21(6)11-14-10-17(23)22(12-14)18(3,4)5/h9,14H,7-8,10-12H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 318.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[methyl-(6-methyl-2-propylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50965963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).