(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

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

Launch Full Analysis

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).