2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine

C17H21N3O — CID 118739859

IUPAC2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCOc1ccccc1CN1CCC(c2nccc(C)n2)C1
InChIInChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)15-8-10-20(12-15)11-14-5-3-4-6-16(14)21-2/h3-7,9,15H,8,10-12H2,1-2H3
InChIKeyPUVHNQKSNYVJIJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine

2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine (PubChem CID 118739859) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
PubChem CID118739859
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCOc1ccccc1CN1CCC(c2nccc(C)n2)C1
InChIInChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)15-8-10-20(12-15)11-14-5-3-4-6-16(14)21-2/h3-7,9,15H,8,10-12H2,1-2H3
InChIKeyPUVHNQKSNYVJIJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110449
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine (CID 118739859) is 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine is COc1ccccc1CN1CCC(c2nccc(C)n2)C1.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The InChIKey is PUVHNQKSNYVJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)15-8-10-20(12-15)11-14-5-3-4-6-16(14)21-2/h3-7,9,15H,8,10-12H2,1-2H3.
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine is sourced from PubChem (CID 118739859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).