6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

C13H17N5O — CID 136808513

IUPAC6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCN1CCN(c2nc3ccc(N)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N5O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7,14H2,1H3,(H,15,16,19)
InChIKeyQCYWCHIESRURBM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.26
Rot. Bonds1

About 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (PubChem CID 136808513) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
PubChem CID136808513
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCN1CCN(c2nc3ccc(N)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N5O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7,14H2,1H3,(H,15,16,19)
InChIKeyQCYWCHIESRURBM-UHFFFAOYSA-N
XLogP0.26
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
CID 136808516
6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
CID 136809137
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808
6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
CID 136809226
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137160812
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808766
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-(3-pyrrolidin-1-ylpropylamino)-3H-quinazolin-4-one
CID 136808991
4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
CID 136809221

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (CID 136808513) is 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is CN1CCN(c2nc3ccc(N)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The InChIKey is QCYWCHIESRURBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7,14H2,1H3,(H,15,16,19).
What are the key properties of 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136808513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).