N-(oxan-4-yl)quinazolin-2-amine

C13H15N3O — CID 114788886

IUPACN-(oxan-4-yl)quinazolin-2-amine
SMILESc1ccc2nc(NC3CCOCC3)ncc2c1
InChIInChI=1S/C13H15N3O/c1-2-4-12-10(3-1)9-14-13(16-12)15-11-5-7-17-8-6-11/h1-4,9,11H,5-8H2,(H,14,15,16)
InChIKeyFQLSMGHGBLAVGB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.22
Rot. Bonds2

About N-(oxan-4-yl)quinazolin-2-amine

N-(oxan-4-yl)quinazolin-2-amine (PubChem CID 114788886) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(oxan-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)quinazolin-2-amine
PubChem CID114788886
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(oxan-4-yl)quinazolin-2-amine
SMILESc1ccc2nc(NC3CCOCC3)ncc2c1
InChIInChI=1S/C13H15N3O/c1-2-4-12-10(3-1)9-14-13(16-12)15-11-5-7-17-8-6-11/h1-4,9,11H,5-8H2,(H,14,15,16)
InChIKeyFQLSMGHGBLAVGB-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)quinazolin-2-amine
CID 107850601
N-(thian-3-yl)quinazolin-2-amine
CID 114789314
7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
CID 89403812
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
CID 166296665
[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone
CID 10172144
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931
6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 11428301
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
2-(oxolan-3-yloxy)quinazoline
CID 67362717
1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
CID 86694293
4-tert-butyl-5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
CID 158554161
5-bromo-N-cyclopropylquinazolin-2-amine
CID 165498561

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)quinazolin-2-amine?
The IUPAC name of N-(oxan-4-yl)quinazolin-2-amine (CID 114788886) is N-(oxan-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(oxan-4-yl)quinazolin-2-amine is c1ccc2nc(NC3CCOCC3)ncc2c1.
What is the InChIKey of N-(oxan-4-yl)quinazolin-2-amine?
The InChIKey is FQLSMGHGBLAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-4-12-10(3-1)9-14-13(16-12)15-11-5-7-17-8-6-11/h1-4,9,11H,5-8H2,(H,14,15,16).
What are the key properties of N-(oxan-4-yl)quinazolin-2-amine?
N-(oxan-4-yl)quinazolin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)quinazolin-2-amine is sourced from PubChem (CID 114788886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).