(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C19H26N4O2 — CID 97364611

IUPAC(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN(Cc1cncnc1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H26N4O2/c1-22(10-15-8-20-14-21-9-15)18-13-23(12-17-5-3-6-24-17)11-16-4-2-7-25-19(16)18/h3,5-6,8-9,14,16,18-19H,2,4,7,10-13H2,1H3/t16-,18+,19-/m0/s1
InChIKeyWAYGVQOMXPNYJV-UHOSZYNNSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds5

About (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 97364611) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID97364611
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN(Cc1cncnc1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H26N4O2/c1-22(10-15-8-20-14-21-9-15)18-13-23(12-17-5-3-6-24-17)11-16-4-2-7-25-19(16)18/h3,5-6,8-9,14,16,18-19H,2,4,7,10-13H2,1H3/t16-,18+,19-/m0/s1
InChIKeyWAYGVQOMXPNYJV-UHOSZYNNSA-N
XLogP2.18
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 97364611) is (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is CN(Cc1cncnc1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is WAYGVQOMXPNYJV-UHOSZYNNSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(10-15-8-20-14-21-9-15)18-13-23(12-17-5-3-6-24-17)11-16-4-2-7-25-19(16)18/h3,5-6,8-9,14,16,18-19H,2,4,7,10-13H2,1H3/t16-,18+,19-/m0/s1.
What are the key properties of (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 342.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 97364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).