5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one

C13H15N5O — CID 64590107

IUPAC5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one
SMILESNc1ccc2ncnc(NC3CCC(=O)NC3)c2c1
InChIInChI=1S/C13H15N5O/c14-8-1-3-11-10(5-8)13(17-7-16-11)18-9-2-4-12(19)15-6-9/h1,3,5,7,9H,2,4,6,14H2,(H,15,19)(H,16,17,18)
InChIKeyWVKLDACXOQFTBR-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.90
Rot. Bonds2

About 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one

5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one (PubChem CID 64590107) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one
PubChem CID64590107
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one
SMILESNc1ccc2ncnc(NC3CCC(=O)NC3)c2c1
InChIInChI=1S/C13H15N5O/c14-8-1-3-11-10(5-8)13(17-7-16-11)18-9-2-4-12(19)15-6-9/h1,3,5,7,9H,2,4,6,14H2,(H,15,19)(H,16,17,18)
InChIKeyWVKLDACXOQFTBR-UHFFFAOYSA-N
XLogP0.90
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(6-aminoquinazolin-4-yl)amino]piperidin-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

4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100
4-N-(1,1-dioxothian-3-yl)quinazoline-4,6-diamine
CID 64588325
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
CID 64589706
5-(4-amino-2-fluoroanilino)piperidin-2-one
CID 63660993
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
CID 133286045
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
CID 66366545
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one (CID 64590107) is 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one is Nc1ccc2ncnc(NC3CCC(=O)NC3)c2c1.
What is the InChIKey of 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one?
The InChIKey is WVKLDACXOQFTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-8-1-3-11-10(5-8)13(17-7-16-11)18-9-2-4-12(19)15-6-9/h1,3,5,7,9H,2,4,6,14H2,(H,15,19)(H,16,17,18).
What are the key properties of 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one?
5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one has a molecular weight of 257.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 64590107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).