1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one

C18H20N4O2 — CID 137344435

IUPAC1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)c1cnc(NCc2ccc(N3CCCC3=O)cc2)nc1C
InChIInChI=1S/C18H20N4O2/c1-12-16(13(2)23)11-20-18(21-12)19-10-14-5-7-15(8-6-14)22-9-3-4-17(22)24/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMMBJZSAKWWQYRS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 137344435) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID137344435
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)c1cnc(NCc2ccc(N3CCCC3=O)cc2)nc1C
InChIInChI=1S/C18H20N4O2/c1-12-16(13(2)23)11-20-18(21-12)19-10-14-5-7-15(8-6-14)22-9-3-4-17(22)24/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMMBJZSAKWWQYRS-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 133468482
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
CID 47981818
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one (CID 137344435) is 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one is CC(=O)c1cnc(NCc2ccc(N3CCCC3=O)cc2)nc1C.
What is the InChIKey of 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is MMBJZSAKWWQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-16(13(2)23)11-20-18(21-12)19-10-14-5-7-15(8-6-14)22-9-3-4-17(22)24/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 137344435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).