3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one

C13H15N5O — CID 106258511

IUPAC3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2nc(N)nc3ccccc23)C1=O
InChIInChI=1S/C13H15N5O/c1-18-7-6-10(12(18)19)15-11-8-4-2-3-5-9(8)16-13(14)17-11/h2-5,10H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyUCPKWWFLRIVBOF-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.85
Rot. Bonds2

About 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106258511) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106258511
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2nc(N)nc3ccccc23)C1=O
InChIInChI=1S/C13H15N5O/c1-18-7-6-10(12(18)19)15-11-8-4-2-3-5-9(8)16-13(14)17-11/h2-5,10H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyUCPKWWFLRIVBOF-UHFFFAOYSA-N
XLogP0.85
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Importazole
CID 2949965
n-((1r,2s,5r)-5-(Tert-butylamino)-2-((s)-2-oxo-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725180
Bms-681
CID 68764898
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
(s)-1-((1s,2s,4r)-2-Isopropyl-4-(isopropyl(methyl)amino)cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 16064151
N-((1r,2s,5r)-5-(isopropyl(methyl)amino)-2-((s)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725177
(S)-1-((1S,2R,4R)-2-ethyl-4-(isopropyl(methyl)amino)-cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 68764925
N(1),N(1)-Dimethyl-N(2)-(2-phenyl-4-quinazolinyl)-1,2-ethanediamine
CID 454716
2-[3-[[2-(Diethylamino)quinazolin-4-yl]amino]propyl]guanidine
CID 44344730

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106258511) is 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2nc(N)nc3ccccc23)C1=O.
What is the InChIKey of 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is UCPKWWFLRIVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-7-6-10(12(18)19)15-11-8-4-2-3-5-9(8)16-13(14)17-11/h2-5,10H,6-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 257.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).