(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine

C20H22N4O3 — CID 172793927

IUPAC(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine
SMILESCCOc1cccnc1Oc1cncc([C@@H]2N=CC=CN2C2CCOC2)c1
InChIInChI=1S/C20H22N4O3/c1-2-26-18-5-3-7-23-20(18)27-17-11-15(12-21-13-17)19-22-8-4-9-24(19)16-6-10-25-14-16/h3-5,7-9,11-13,16,19H,2,6,10,14H2,1H3/t16?,19-/m1/s1
InChIKeyPYCUZNCUKMPEDG-LRTDYKAYSA-N
MW366.42 g/mol
LogP3.36
Rot. Bonds6

About (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine

(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine (PubChem CID 172793927) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine.

Molecular Properties

Compound Name(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine
PubChem CID172793927
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine
SMILESCCOc1cccnc1Oc1cncc([C@@H]2N=CC=CN2C2CCOC2)c1
InChIInChI=1S/C20H22N4O3/c1-2-26-18-5-3-7-23-20(18)27-17-11-15(12-21-13-17)19-22-8-4-9-24(19)16-6-10-25-14-16/h3-5,7-9,11-13,16,19H,2,6,10,14H2,1H3/t16?,19-/m1/s1
InChIKeyPYCUZNCUKMPEDG-LRTDYKAYSA-N
XLogP3.36
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine with MolForge

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Related Compounds

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine
CID 150405954
2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 155725116
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
3-[(3-ethoxy-2-pyridinyl)oxy]phenol
CID 113371152
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine
CID 122154505
4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
CID 83261226
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090988
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
CID 95823060
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(oxolan-3-yl)benzamide
CID 138995609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine?
The IUPAC name of (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine (CID 172793927) is (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine.
What is the SMILES notation for (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine?
The canonical SMILES for (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine is CCOc1cccnc1Oc1cncc([C@@H]2N=CC=CN2C2CCOC2)c1.
What is the InChIKey of (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine?
The InChIKey is PYCUZNCUKMPEDG-LRTDYKAYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-26-18-5-3-7-23-20(18)27-17-11-15(12-21-13-17)19-22-8-4-9-24(19)16-6-10-25-14-16/h3-5,7-9,11-13,16,19H,2,6,10,14H2,1H3/t16?,19-/m1/s1.
What are the key properties of (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine?
(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine has a molecular weight of 366.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine is sourced from PubChem (CID 172793927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).