(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

C14H19N5O — CID 63276797

IUPAC(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCc1noc2ncnc(N3C[C@H]4CCC(N)C[C@H]4C3)c12
InChIInChI=1S/C14H19N5O/c1-8-12-13(16-7-17-14(12)20-18-8)19-5-9-2-3-11(15)4-10(9)6-19/h7,9-11H,2-6,15H2,1H3/t9-,10+,11?/m1/s1
InChIKeyFYOULBSWZKZQLL-JKIOLJMWSA-N
MW273.34 g/mol
LogP1.49
Rot. Bonds1

About (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (PubChem CID 63276797) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.

Molecular Properties

Compound Name(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
PubChem CID63276797
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCc1noc2ncnc(N3C[C@H]4CCC(N)C[C@H]4C3)c12
InChIInChI=1S/C14H19N5O/c1-8-12-13(16-7-17-14(12)20-18-8)19-5-9-2-3-11(15)4-10(9)6-19/h7,9-11H,2-6,15H2,1H3/t9-,10+,11?/m1/s1
InChIKeyFYOULBSWZKZQLL-JKIOLJMWSA-N
XLogP1.49
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The IUPAC name of (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (CID 63276797) is (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.
What is the SMILES notation for (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The canonical SMILES for (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is Cc1noc2ncnc(N3C[C@H]4CCC(N)C[C@H]4C3)c12.
What is the InChIKey of (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The InChIKey is FYOULBSWZKZQLL-JKIOLJMWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-12-13(16-7-17-14(12)20-18-8)19-5-9-2-3-11(15)4-10(9)6-19/h7,9-11H,2-6,15H2,1H3/t9-,10+,11?/m1/s1.
What are the key properties of (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is sourced from PubChem (CID 63276797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).