(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C13H19N3O2 — CID 97369643

IUPAC(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@H]3C[C@@H](C)O[C@@H]3C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-5-10-3-4-16(7-11(10)18-9)12-6-13(17-2)15-8-14-12/h6,8-11H,3-5,7H2,1-2H3/t9-,10+,11-/m1/s1
InChIKeyXOFFPGJKXCMZJJ-OUAUKWLOSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds2

About (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369643) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369643
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@H]3C[C@@H](C)O[C@@H]3C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-5-10-3-4-16(7-11(10)18-9)12-6-13(17-2)15-8-14-12/h6,8-11H,3-5,7H2,1-2H3/t9-,10+,11-/m1/s1
InChIKeyXOFFPGJKXCMZJJ-OUAUKWLOSA-N
XLogP1.49
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,9aS)-7-(6-methoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511034
[(3aS,4S,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97362879
[(3aS,4R,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365009
4-[[(3aR,4R,7aS)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]morpholine
CID 97402964
N-[[(3aR,4R,7aS)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]-2-methoxy-N-methylethanamine
CID 97510834
(4aR,9aR)-4-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511094
(3aS,4S,7aS)-N-(2-methoxyethyl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97949913
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
3-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118744836
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
CID 97325062

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369643) is (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is COc1cc(N2CC[C@H]3C[C@@H](C)O[C@@H]3C2)ncn1.
What is the InChIKey of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is XOFFPGJKXCMZJJ-OUAUKWLOSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-10-3-4-16(7-11(10)18-9)12-6-13(17-2)15-8-14-12/h6,8-11H,3-5,7H2,1-2H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 249.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97369643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).