(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C18H22N4O2 — CID 97421156

IUPAC(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cccc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H22N4O2/c1-14-4-2-5-16(21-14)10-24-13-18-11-22(8-15(18)9-23-12-18)17-19-6-3-7-20-17/h2-7,15H,8-13H2,1H3/t15-,18+/m1/s1
InChIKeyVKOVNMVUHNXFOW-QAPCUYQASA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds5

About (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97421156) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97421156
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cccc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H22N4O2/c1-14-4-2-5-16(21-14)10-24-13-18-11-22(8-15(18)9-23-12-18)17-19-6-3-7-20-17/h2-7,15H,8-13H2,1H3/t15-,18+/m1/s1
InChIKeyVKOVNMVUHNXFOW-QAPCUYQASA-N
XLogP1.85
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97421156) is (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1cccc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)n1.
What is the InChIKey of (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is VKOVNMVUHNXFOW-QAPCUYQASA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-4-2-5-16(21-14)10-24-13-18-11-22(8-15(18)9-23-12-18)17-19-6-3-7-20-17/h2-7,15H,8-13H2,1H3/t15-,18+/m1/s1.
What are the key properties of (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 326.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97421156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).