5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine

C18H23N3O — CID 99939084

IUPAC5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
SMILESCOC[C@H]1CCN(Cc2cnc(-c3cccc(C)c3)nc2)C1
InChIInChI=1S/C18H23N3O/c1-14-4-3-5-17(8-14)18-19-9-16(10-20-18)12-21-7-6-15(11-21)13-22-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m0/s1
InChIKeyJHZWHZASAOHYGZ-HNNXBMFYSA-N
MW297.40 g/mol
LogP2.92
Rot. Bonds5

About 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine

5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine (PubChem CID 99939084) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
PubChem CID99939084
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
SMILESCOC[C@H]1CCN(Cc2cnc(-c3cccc(C)c3)nc2)C1
InChIInChI=1S/C18H23N3O/c1-14-4-3-5-17(8-14)18-19-9-16(10-20-18)12-21-7-6-15(11-21)13-22-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m0/s1
InChIKeyJHZWHZASAOHYGZ-HNNXBMFYSA-N
XLogP2.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
CID 77090077
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 74239581
(4R)-2-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572853
[4-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56915918
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 42122231
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 64599126
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]pyrrolidin-3-ol
CID 134712466
(6R,11S)-11-hydroxy-8-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311348
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
3-methyl-7-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 47000558

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine (CID 99939084) is 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine is COC[C@H]1CCN(Cc2cnc(-c3cccc(C)c3)nc2)C1.
What is the InChIKey of 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine?
The InChIKey is JHZWHZASAOHYGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-4-3-5-17(8-14)18-19-9-16(10-20-18)12-21-7-6-15(11-21)13-22-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine?
5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine has a molecular weight of 297.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 99939084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).