5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine

C17H16N4O — CID 66924142

IUPAC5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(O[C@H]3CCc4ccccc43)cccc2n1
InChIInChI=1S/C17H16N4O/c18-16-15-12(20-17(19)21-16)6-3-7-14(15)22-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H4,18,19,20,21)/t13-/m0/s1
InChIKeyWHJAFSUXERPRKJ-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.86
Rot. Bonds2

About 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine

5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine (PubChem CID 66924142) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine
PubChem CID66924142
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(O[C@H]3CCc4ccccc43)cccc2n1
InChIInChI=1S/C17H16N4O/c18-16-15-12(20-17(19)21-16)6-3-7-14(15)22-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H4,18,19,20,21)/t13-/m0/s1
InChIKeyWHJAFSUXERPRKJ-ZDUSSCGKSA-N
XLogP2.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine (CID 66924142) is 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(O[C@H]3CCc4ccccc43)cccc2n1.
What is the InChIKey of 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine?
The InChIKey is WHJAFSUXERPRKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N4O/c18-16-15-12(20-17(19)21-16)6-3-7-14(15)22-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H4,18,19,20,21)/t13-/m0/s1.
What are the key properties of 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine?
5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine has a molecular weight of 292.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine is sourced from PubChem (CID 66924142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).