7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine

C12H14N4O2 — CID 164962336

IUPAC7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
SMILESNc1cc2c(N)ncnc2cc1O[C@H]1CCOC1
InChIInChI=1S/C12H14N4O2/c13-9-3-8-10(15-6-16-12(8)14)4-11(9)18-7-1-2-17-5-7/h3-4,6-7H,1-2,5,13H2,(H2,14,15,16)/t7-/m0/s1
InChIKeyBZWRFVGPTWNOFV-ZETCQYMHSA-N
MW246.27 g/mol
LogP0.96
Rot. Bonds2

About 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine

7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine (PubChem CID 164962336) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine.

Molecular Properties

Compound Name7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
PubChem CID164962336
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
SMILESNc1cc2c(N)ncnc2cc1O[C@H]1CCOC1
InChIInChI=1S/C12H14N4O2/c13-9-3-8-10(15-6-16-12(8)14)4-11(9)18-7-1-2-17-5-7/h3-4,6-7H,1-2,5,13H2,(H2,14,15,16)/t7-/m0/s1
InChIKeyBZWRFVGPTWNOFV-ZETCQYMHSA-N
XLogP0.96
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.96
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

7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine
CID 123985155
6-bromo-4-chloro-7-[(3S)-oxolan-3-yl]oxyquinazoline
CID 169231093
7-(oxolan-3-yloxy)-2-(2,3,4,5-tetrafluoro-6-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 175480191
2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine
CID 67006510
4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane
CID 143534865
6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
CID 89496247
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
6-amino-7-(oxolan-3-yloxy)-4-(pyrazin-2-ylamino)quinoline-3-carbonitrile
CID 89496271
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
6-amino-7-(oxolan-3-yloxy)-4-[[(1R)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496124

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine?
The IUPAC name of 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine (CID 164962336) is 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine.
What is the SMILES notation for 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine?
The canonical SMILES for 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine is Nc1cc2c(N)ncnc2cc1O[C@H]1CCOC1.
What is the InChIKey of 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine?
The InChIKey is BZWRFVGPTWNOFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-9-3-8-10(15-6-16-12(8)14)4-11(9)18-7-1-2-17-5-7/h3-4,6-7H,1-2,5,13H2,(H2,14,15,16)/t7-/m0/s1.
What are the key properties of 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine?
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine is sourced from PubChem (CID 164962336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).