4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one

C18H23N3O2 — CID 136748608

IUPAC4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CC[C@H](c3ccccc3OC)C2)n1
InChIInChI=1S/C18H23N3O2/c1-3-14-10-18(22)20-17(19-14)12-21-9-8-13(11-21)15-6-4-5-7-16(15)23-2/h4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,19,20,22)/t13-/m0/s1
InChIKeyUGFIUKGPPLYNEY-ZDUSSCGKSA-N
MW313.40 g/mol
LogP2.33
Rot. Bonds5

About 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 136748608) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID136748608
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CC[C@H](c3ccccc3OC)C2)n1
InChIInChI=1S/C18H23N3O2/c1-3-14-10-18(22)20-17(19-14)12-21-9-8-13(11-21)15-6-4-5-7-16(15)23-2/h4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,19,20,22)/t13-/m0/s1
InChIKeyUGFIUKGPPLYNEY-ZDUSSCGKSA-N
XLogP2.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
2-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136735017
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
CID 75482891
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
CID 136667317
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707435
4-ethyl-2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707395
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 50953533
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 136748608) is 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2CC[C@H](c3ccccc3OC)C2)n1.
What is the InChIKey of 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is UGFIUKGPPLYNEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-14-10-18(22)20-17(19-14)12-21-9-8-13(11-21)15-6-4-5-7-16(15)23-2/h4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,19,20,22)/t13-/m0/s1.
What are the key properties of 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 313.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136748608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).