(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol

C17H22N4O3 — CID 133260538

IUPAC(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCO[C@@H]1CN(c2ncnc(Oc3cccnc3C)c2C)C[C@H]1O
InChIInChI=1S/C17H22N4O3/c1-4-23-15-9-21(8-13(15)22)16-11(2)17(20-10-19-16)24-14-6-5-7-18-12(14)3/h5-7,10,13,15,22H,4,8-9H2,1-3H3/t13-,15-/m1/s1
InChIKeyFZNRBVUHDFIQQM-UKRRQHHQSA-N
MW330.39 g/mol
LogP1.87
Rot. Bonds5

About (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 133260538) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID133260538
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCO[C@@H]1CN(c2ncnc(Oc3cccnc3C)c2C)C[C@H]1O
InChIInChI=1S/C17H22N4O3/c1-4-23-15-9-21(8-13(15)22)16-11(2)17(20-10-19-16)24-14-6-5-7-18-12(14)3/h5-7,10,13,15,22H,4,8-9H2,1-3H3/t13-,15-/m1/s1
InChIKeyFZNRBVUHDFIQQM-UKRRQHHQSA-N
XLogP1.87
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

acetic acid;1-ethyl-3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane
CID 154919644
(2S,4R)-2-ethyl-9-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567592
[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95728340
(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol
CID 129496020
[(4aS,8aR)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridin-4a-yl]methanol
CID 56911399
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
CID 171359901
(5S)-3-methyl-9-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95725620
(3R,4R)-1-(3-amino-2-pyridinyl)-4-methoxypyrrolidin-3-ol
CID 129359554
propyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414734
1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 66325534
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol (CID 133260538) is (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol is CCO[C@@H]1CN(c2ncnc(Oc3cccnc3C)c2C)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is FZNRBVUHDFIQQM-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-23-15-9-21(8-13(15)22)16-11(2)17(20-10-19-16)24-14-6-5-7-18-12(14)3/h5-7,10,13,15,22H,4,8-9H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 330.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 133260538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).