4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine

C13H18N6 — CID 83027219

IUPAC4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine
SMILESCN1CCN(Nc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C13H18N6/c1-18-6-8-19(9-7-18)17-12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3,(H3,14,15,16,17)
InChIKeyPETFTZALBMZTGS-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.79
Rot. Bonds2

About 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine

4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine (PubChem CID 83027219) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine
PubChem CID83027219
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine
SMILESCN1CCN(Nc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C13H18N6/c1-18-6-8-19(9-7-18)17-12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3,(H3,14,15,16,17)
InChIKeyPETFTZALBMZTGS-UHFFFAOYSA-N
XLogP0.79
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Quipazine
CID 5011
4-Aminoquinazoline
CID 84759
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine (CID 83027219) is 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine is CN1CCN(Nc2nc(N)nc3ccccc23)CC1.
What is the InChIKey of 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine?
The InChIKey is PETFTZALBMZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-18-6-8-19(9-7-18)17-12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine?
4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine has a molecular weight of 258.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 83027219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).