4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one

C14H20N4O2 — CID 137342222

IUPAC4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(Nc2ncc(C(C)=O)c(C)n2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-4-5-18-8-11(6-13(18)20)17-14-15-7-12(10(3)19)9(2)16-14/h7,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyVPTLFHJNAWFBBT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds5

About 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one

4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one (PubChem CID 137342222) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
PubChem CID137342222
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(Nc2ncc(C(C)=O)c(C)n2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-4-5-18-8-11(6-13(18)20)17-14-15-7-12(10(3)19)9(2)16-14/h7,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyVPTLFHJNAWFBBT-UHFFFAOYSA-N
XLogP1.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-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

Related Compounds

1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 134712239
4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
CID 83183986
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 50966800
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one (CID 137342222) is 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one is CCCN1CC(Nc2ncc(C(C)=O)c(C)n2)CC1=O.
What is the InChIKey of 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
The InChIKey is VPTLFHJNAWFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-5-18-8-11(6-13(18)20)17-14-15-7-12(10(3)19)9(2)16-14/h7,11H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one?
4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 137342222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).