(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol

C21H25N3O3 — CID 141004420

IUPAC(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol
SMILESCOC1N=CC=CN1c1ccc(O[C@@H](C)[C@H](O)CCc2cccnc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(20(25)11-6-17-5-3-12-22-15-17)27-19-9-7-18(8-10-19)24-14-4-13-23-21(24)26-2/h3-5,7-10,12-16,20-21,25H,6,11H2,1-2H3/t16-,20+,21?/m0/s1
InChIKeyUJMXPSGQOZXTGL-ICTUGDKOSA-N
MW367.45 g/mol
LogP3.18
Rot. Bonds8

About (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol

(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol (PubChem CID 141004420) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol
PubChem CID141004420
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol
SMILESCOC1N=CC=CN1c1ccc(O[C@@H](C)[C@H](O)CCc2cccnc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(20(25)11-6-17-5-3-12-22-15-17)27-19-9-7-18(8-10-19)24-14-4-13-23-21(24)26-2/h3-5,7-10,12-16,20-21,25H,6,11H2,1-2H3/t16-,20+,21?/m0/s1
InChIKeyUJMXPSGQOZXTGL-ICTUGDKOSA-N
XLogP3.18
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol with MolForge

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Related Compounds

(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
2,2,2-trifluoro-N-[3-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]-N-methylacetamide
CID 59970472
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
5-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 59970474

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol?
The IUPAC name of (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol (CID 141004420) is (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol.
What is the SMILES notation for (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol?
The canonical SMILES for (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol is COC1N=CC=CN1c1ccc(O[C@@H](C)[C@H](O)CCc2cccnc2)cc1.
What is the InChIKey of (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol?
The InChIKey is UJMXPSGQOZXTGL-ICTUGDKOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(20(25)11-6-17-5-3-12-22-15-17)27-19-9-7-18(8-10-19)24-14-4-13-23-21(24)26-2/h3-5,7-10,12-16,20-21,25H,6,11H2,1-2H3/t16-,20+,21?/m0/s1.
What are the key properties of (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol?
(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol has a molecular weight of 367.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol is sourced from PubChem (CID 141004420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).