2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine

C14H17N3O3 — CID 175729182

IUPAC2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine
SMILESC[C@@H](COc1nc(N)c2ccccc2n1)OC1COC1
InChIInChI=1S/C14H17N3O3/c1-9(20-10-7-18-8-10)6-19-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17)/t9-/m0/s1
InChIKeyGYZISVVEOFYFJQ-VIFPVBQESA-N
MW275.31 g/mol
LogP1.39
Rot. Bonds5

About 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine

2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine (PubChem CID 175729182) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine
PubChem CID175729182
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine
SMILESC[C@@H](COc1nc(N)c2ccccc2n1)OC1COC1
InChIInChI=1S/C14H17N3O3/c1-9(20-10-7-18-8-10)6-19-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17)/t9-/m0/s1
InChIKeyGYZISVVEOFYFJQ-VIFPVBQESA-N
XLogP1.39
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine?
The IUPAC name of 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine (CID 175729182) is 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine.
What is the SMILES notation for 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine?
The canonical SMILES for 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine is C[C@@H](COc1nc(N)c2ccccc2n1)OC1COC1.
What is the InChIKey of 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine?
The InChIKey is GYZISVVEOFYFJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(20-10-7-18-8-10)6-19-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine?
2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(oxetan-3-yloxy)propoxy]quinazolin-4-amine is sourced from PubChem (CID 175729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).