5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine

C25H30N4O2 — CID 110262632

IUPAC5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
SMILESCCOc1ccc(COC)cc1CN1CCCC1c1cc(-c2cncnc2)cc(C)n1
InChIInChI=1S/C25H30N4O2/c1-4-31-25-8-7-19(16-30-3)11-21(25)15-29-9-5-6-24(29)23-12-20(10-18(2)28-23)22-13-26-17-27-14-22/h7-8,10-14,17,24H,4-6,9,15-16H2,1-3H3
InChIKeyMBNNBSWUIDWZDR-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.73
Rot. Bonds8

About 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine

5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine (PubChem CID 110262632) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
PubChem CID110262632
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
SMILESCCOc1ccc(COC)cc1CN1CCCC1c1cc(-c2cncnc2)cc(C)n1
InChIInChI=1S/C25H30N4O2/c1-4-31-25-8-7-19(16-30-3)11-21(25)15-29-9-5-6-24(29)23-12-20(10-18(2)28-23)22-13-26-17-27-14-22/h7-8,10-14,17,24H,4-6,9,15-16H2,1-3H3
InChIKeyMBNNBSWUIDWZDR-UHFFFAOYSA-N
XLogP4.73
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262883
N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 92616857
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 125018904
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835780
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95832802
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
4-[(4-chlorophenyl)methyl]-2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 110262687

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine?
The IUPAC name of 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine (CID 110262632) is 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine.
What is the SMILES notation for 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine?
The canonical SMILES for 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine is CCOc1ccc(COC)cc1CN1CCCC1c1cc(-c2cncnc2)cc(C)n1.
What is the InChIKey of 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine?
The InChIKey is MBNNBSWUIDWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-31-25-8-7-19(16-30-3)11-21(25)15-29-9-5-6-24(29)23-12-20(10-18(2)28-23)22-13-26-17-27-14-22/h7-8,10-14,17,24H,4-6,9,15-16H2,1-3H3.
What are the key properties of 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine?
5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine has a molecular weight of 418.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine is sourced from PubChem (CID 110262632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).