3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol

C20H21N3O2 — CID 77092954

IUPAC3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1
InChIInChI=1S/C20H21N3O2/c24-14-20(25)8-9-23(13-20)12-15-10-21-19(22-11-15)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,10-11,24-25H,8-9,12-14H2
InChIKeyQXNPCKGIRMYOFT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.23
Rot. Bonds4

About 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol

3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 77092954) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
PubChem CID77092954
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1
InChIInChI=1S/C20H21N3O2/c24-14-20(25)8-9-23(13-20)12-15-10-21-19(22-11-15)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,10-11,24-25H,8-9,12-14H2
InChIKeyQXNPCKGIRMYOFT-UHFFFAOYSA-N
XLogP2.23
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311751
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
1-benzyl-3-[[(4,5-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497177
1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130608348
(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
CID 133117855
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol (CID 77092954) is 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol is OCC1(O)CCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is QXNPCKGIRMYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-14-20(25)8-9-23(13-20)12-15-10-21-19(22-11-15)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,10-11,24-25H,8-9,12-14H2.
What are the key properties of 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 335.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 77092954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).