(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C14H21N3O2 — CID 99620090

IUPAC(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCOc1cc(N2CC[C@H]3OCCC[C@@H]3C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3/t11-,12-/m1/s1
InChIKeyPLMKDXHIQAKZKJ-VXGBXAGGSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds3

About (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 99620090) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID99620090
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCOc1cc(N2CC[C@H]3OCCC[C@@H]3C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3/t11-,12-/m1/s1
InChIKeyPLMKDXHIQAKZKJ-VXGBXAGGSA-N
XLogP1.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Related Compounds

1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 86797287
4-benzyl-6-(6-ethoxypyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133490506
4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 75510045
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine
CID 164639556
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133464534

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 99620090) is (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is CCOc1cc(N2CC[C@H]3OCCC[C@@H]3C2)ncn1.
What is the InChIKey of (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is PLMKDXHIQAKZKJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-14-8-13(15-10-16-14)17-6-5-12-11(9-17)4-3-7-19-12/h8,10-12H,2-7,9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 263.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 99620090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).