4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid

C11H12N4O4 — CID 83183986

IUPAC4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CC(=O)N(C)C2=O)ncc1C(=O)O
InChIInChI=1S/C11H12N4O4/c1-5-6(10(18)19)4-12-11(13-5)14-7-3-8(16)15(2)9(7)17/h4,7H,3H2,1-2H3,(H,18,19)(H,12,13,14)
InChIKeySVDQCQVFQRGONN-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.35
Rot. Bonds3

About 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid

4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid (PubChem CID 83183986) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
PubChem CID83183986
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CC(=O)N(C)C2=O)ncc1C(=O)O
InChIInChI=1S/C11H12N4O4/c1-5-6(10(18)19)4-12-11(13-5)14-7-3-8(16)15(2)9(7)17/h4,7H,3H2,1-2H3,(H,18,19)(H,12,13,14)
InChIKeySVDQCQVFQRGONN-UHFFFAOYSA-N
XLogP-0.35
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 116648433
3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114475935
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
2-[(3,3-dimethyloxan-4-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 167821719
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid (CID 83183986) is 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid is Cc1nc(NC2CC(=O)N(C)C2=O)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is SVDQCQVFQRGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-5-6(10(18)19)4-12-11(13-5)14-7-3-8(16)15(2)9(7)17/h4,7H,3H2,1-2H3,(H,18,19)(H,12,13,14).
What are the key properties of 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).