2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H17N3O2 — CID 106471842

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CC3CCC2O3)nc2c1COCC2
InChIInChI=1S/C13H17N3O2/c14-12-9-6-17-4-3-10(9)15-13(16-12)8-5-7-1-2-11(8)18-7/h7-8,11H,1-6H2,(H2,14,15,16)
InChIKeyDJQWNWFCYZSOGU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.17
Rot. Bonds1

About 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106471842) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106471842
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CC3CCC2O3)nc2c1COCC2
InChIInChI=1S/C13H17N3O2/c14-12-9-6-17-4-3-10(9)15-13(16-12)8-5-7-1-2-11(8)18-7/h7-8,11H,1-6H2,(H2,14,15,16)
InChIKeyDJQWNWFCYZSOGU-UHFFFAOYSA-N
XLogP1.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471849
ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
CID 116647743
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472072
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471931
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
CID 164643649
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106889312
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472866
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106471842) is 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Nc1nc(C2CC3CCC2O3)nc2c1COCC2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is DJQWNWFCYZSOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-12-9-6-17-4-3-10(9)15-13(16-12)8-5-7-1-2-11(8)18-7/h7-8,11H,1-6H2,(H2,14,15,16).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106471842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).