5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide

C13H17N5O2 — CID 136880867

IUPAC5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H17N5O2/c14-9-5-8-10(17-7-18-13(8)20)6-11(9)16-4-2-1-3-12(15)19/h5-7,16H,1-4,14H2,(H2,15,19)(H,17,18,20)
InChIKeyZLMSZDPYXABWBM-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.57
Rot. Bonds6

About 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide

5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide (PubChem CID 136880867) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
PubChem CID136880867
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H17N5O2/c14-9-5-8-10(17-7-18-13(8)20)6-11(9)16-4-2-1-3-12(15)19/h5-7,16H,1-4,14H2,(H2,15,19)(H,17,18,20)
InChIKeyZLMSZDPYXABWBM-UHFFFAOYSA-N
XLogP0.57
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
CID 136811945
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
6-amino-7-[3-(triazol-1-yl)propylamino]-3H-quinazolin-4-one
CID 136824779
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
CID 136791661
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
CID 136819009
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide?
The IUPAC name of 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide (CID 136880867) is 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide is NC(=O)CCCCNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide?
The InChIKey is ZLMSZDPYXABWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-9-5-8-10(17-7-18-13(8)20)6-11(9)16-4-2-1-3-12(15)19/h5-7,16H,1-4,14H2,(H2,15,19)(H,17,18,20).
What are the key properties of 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide?
5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide has a molecular weight of 275.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide is sourced from PubChem (CID 136880867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).