4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine

C9H11N3O — CID 89414621

IUPAC4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESNC1=NC(c2ccccn2)CCO1
InChIInChI=1S/C9H11N3O/c10-9-12-8(4-6-13-9)7-3-1-2-5-11-7/h1-3,5,8H,4,6H2,(H2,10,12)
InChIKeySWOJGEXAJRUTCJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.86
Rot. Bonds1

About 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine

4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 89414621) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID89414621
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESNC1=NC(c2ccccn2)CCO1
InChIInChI=1S/C9H11N3O/c10-9-12-8(4-6-13-9)7-3-1-2-5-11-7/h1-3,5,8H,4,6H2,(H2,10,12)
InChIKeySWOJGEXAJRUTCJ-UHFFFAOYSA-N
XLogP0.86
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
2-methyl-3-pyridin-2-yl-1,2-oxazolidine
CID 101179409
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
3-pyridin-2-ylmorpholine
CID 54247101
4-pyridin-2-yl-4,5-dihydrothiadiazole
CID 68553246
cis-(1R,3S)-3-pyridin-2-ylcyclopentan-1-amine
CID 67133523
4-pyridin-2-yloxazepane
CID 66583659
2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
CID 165176425
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
CID 102182088
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 89414621) is 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine is NC1=NC(c2ccccn2)CCO1.
What is the InChIKey of 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is SWOJGEXAJRUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9-12-8(4-6-13-9)7-3-1-2-5-11-7/h1-3,5,8H,4,6H2,(H2,10,12).
What are the key properties of 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine?
4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 177.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 89414621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).