2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine

C7H9N3O — CID 70438350

IUPAC2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine
SMILESNC1N=CC2=CC=COC2N1
InChIInChI=1S/C7H9N3O/c8-7-9-4-5-2-1-3-11-6(5)10-7/h1-4,6-7,10H,8H2
InChIKeyMAJPJKKYVVVNPC-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.30
Rot. Bonds

About 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine

2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine (PubChem CID 70438350) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine
PubChem CID70438350
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine
SMILESNC1N=CC2=CC=COC2N1
InChIInChI=1S/C7H9N3O/c8-7-9-4-5-2-1-3-11-6(5)10-7/h1-4,6-7,10H,8H2
InChIKeyMAJPJKKYVVVNPC-UHFFFAOYSA-N
XLogP-0.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine?
The IUPAC name of 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine (CID 70438350) is 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine is NC1N=CC2=CC=COC2N1.
What is the InChIKey of 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine?
The InChIKey is MAJPJKKYVVVNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7-9-4-5-2-1-3-11-6(5)10-7/h1-4,6-7,10H,8H2.
What are the key properties of 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine?
2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine has a molecular weight of 151.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8a-dihydro-1H-pyrano[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 70438350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).