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

C14H21N3O3 — CID 97486922

IUPAC(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@H]2CCO[C@H]12
InChIInChI=1S/C14H21N3O3/c1-3-19-11-4-6-17(10-5-7-20-14(10)11)12-8-13(18-2)16-9-15-12/h8-11,14H,3-7H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyCULKVHYPTLJLHQ-WDMOLILDSA-N
MW279.34 g/mol
LogP1.26
Rot. Bonds4

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

(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (PubChem CID 97486922) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
PubChem CID97486922
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@H]2CCO[C@H]12
InChIInChI=1S/C14H21N3O3/c1-3-19-11-4-6-17(10-5-7-20-14(10)11)12-8-13(18-2)16-9-15-12/h8-11,14H,3-7H2,1-2H3/t10-,11+,14-/m0/s1
InChIKeyCULKVHYPTLJLHQ-WDMOLILDSA-N
XLogP1.26
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
(3S,3aS,7aR)-3-(cyclopropylmethoxy)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155840273
(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155865760
(3-Endo)-8-(6-methoxypyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50974956
6-methoxy-N-methyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pyrimidin-4-amine
CID 50984048
3-[(3R,3aR,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea
CID 155901715
(3S,3aS,7aR)-1-(6-methoxypyrimidin-4-yl)-3-(oxan-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 155902215
6-methoxy-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]pyrimidin-4-amine
CID 50975825
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyrimidin-4-amine
CID 79071223
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-methoxypyrimidin-4-amine
CID 79071747

Frequently Asked Questions

What is the IUPAC name of (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The IUPAC name of (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (CID 97486922) is (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The canonical SMILES for (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is CCO[C@@H]1CCN(c2cc(OC)ncn2)[C@H]2CCO[C@H]12.
What is the InChIKey of (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The InChIKey is CULKVHYPTLJLHQ-WDMOLILDSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-19-11-4-6-17(10-5-7-20-14(10)11)12-8-13(18-2)16-9-15-12/h8-11,14H,3-7H2,1-2H3/t10-,11+,14-/m0/s1.
What are the key properties of (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
(3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine has a molecular weight of 279.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7R,7aS)-7-ethoxy-4-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 97486922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).