4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine

C13H16N4O2 — CID 64587294

IUPAC4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCC3COCCO3)c2c1
InChIInChI=1S/C13H16N4O2/c14-9-1-2-12-11(5-9)13(17-8-16-12)15-6-10-7-18-3-4-19-10/h1-2,5,8,10H,3-4,6-7,14H2,(H,15,16,17)
InChIKeyZIRSOSRQKFDJTF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.04
Rot. Bonds3

About 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine

4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine (PubChem CID 64587294) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
PubChem CID64587294
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCC3COCCO3)c2c1
InChIInChI=1S/C13H16N4O2/c14-9-1-2-12-11(5-9)13(17-8-16-12)15-6-10-7-18-3-4-19-10/h1-2,5,8,10H,3-4,6-7,14H2,(H,15,16,17)
InChIKeyZIRSOSRQKFDJTF-UHFFFAOYSA-N
XLogP1.04
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4-dioxan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 63263613
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95126872
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
2-N-(1,4-dioxan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891097
4-N-[(1,1-dioxothiolan-3-yl)methyl]quinazoline-4,6-diamine
CID 64588908
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 93423961
5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
CID 66340765
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine
CID 146237700
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
CID 64589706
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
4-amino-2-chloro-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54908030

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine (CID 64587294) is 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(NCC3COCCO3)c2c1.
What is the InChIKey of 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine?
The InChIKey is ZIRSOSRQKFDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-1-2-12-11(5-9)13(17-8-16-12)15-6-10-7-18-3-4-19-10/h1-2,5,8,10H,3-4,6-7,14H2,(H,15,16,17).
What are the key properties of 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine?
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64587294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).