4-(oxolan-2-ylmethoxy)quinazolin-6-amine

C13H15N3O2 — CID 64590316

IUPAC4-(oxolan-2-ylmethoxy)quinazolin-6-amine
SMILESNc1ccc2ncnc(OCC3CCCO3)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-3-4-12-11(6-9)13(16-8-15-12)18-7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7,14H2
InChIKeyGHUQEXMRJKFAEM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.77
Rot. Bonds3

About 4-(oxolan-2-ylmethoxy)quinazolin-6-amine

4-(oxolan-2-ylmethoxy)quinazolin-6-amine (PubChem CID 64590316) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)quinazolin-6-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)quinazolin-6-amine
PubChem CID64590316
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(oxolan-2-ylmethoxy)quinazolin-6-amine
SMILESNc1ccc2ncnc(OCC3CCCO3)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-3-4-12-11(6-9)13(16-8-15-12)18-7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7,14H2
InChIKeyGHUQEXMRJKFAEM-UHFFFAOYSA-N
XLogP1.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 55176125
4-bromo-3-(oxolan-2-ylmethoxy)aniline
CID 103008573
4-(2-methylpropoxy)quinazolin-6-amine
CID 64590117
5-bromo-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 61228294
5-[[(2R)-oxolan-2-yl]methoxy]pyridin-3-amine
CID 124569752
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
CID 65126778
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
[6-(oxolan-2-ylmethoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80912557
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
CID 64587294
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)quinazolin-6-amine?
The IUPAC name of 4-(oxolan-2-ylmethoxy)quinazolin-6-amine (CID 64590316) is 4-(oxolan-2-ylmethoxy)quinazolin-6-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)quinazolin-6-amine?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)quinazolin-6-amine is Nc1ccc2ncnc(OCC3CCCO3)c2c1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)quinazolin-6-amine?
The InChIKey is GHUQEXMRJKFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-3-4-12-11(6-9)13(16-8-15-12)18-7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7,14H2.
What are the key properties of 4-(oxolan-2-ylmethoxy)quinazolin-6-amine?
4-(oxolan-2-ylmethoxy)quinazolin-6-amine has a molecular weight of 245.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)quinazolin-6-amine is sourced from PubChem (CID 64590316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).