[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

C14H23N3O2 — CID 146149687

IUPAC[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCCc1cc(N2CC(CO)CC2CO)nc(CC)n1
InChIInChI=1S/C14H23N3O2/c1-3-11-6-14(16-13(4-2)15-11)17-7-10(8-18)5-12(17)9-19/h6,10,12,18-19H,3-5,7-9H2,1-2H3
InChIKeyNYFSZLIERNYCCG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds5

About [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 146149687) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID146149687
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCCc1cc(N2CC(CO)CC2CO)nc(CC)n1
InChIInChI=1S/C14H23N3O2/c1-3-11-6-14(16-13(4-2)15-11)17-7-10(8-18)5-12(17)9-19/h6,10,12,18-19H,3-5,7-9H2,1-2H3
InChIKeyNYFSZLIERNYCCG-UHFFFAOYSA-N
XLogP0.78
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139019006
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136568517
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80937089
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
2,4-diethyl-6-methylpyrimidine
CID 45080276
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 113380422

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 146149687) is [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is CCc1cc(N2CC(CO)CC2CO)nc(CC)n1.
What is the InChIKey of [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is NYFSZLIERNYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-11-6-14(16-13(4-2)15-11)17-7-10(8-18)5-12(17)9-19/h6,10,12,18-19H,3-5,7-9H2,1-2H3.
What are the key properties of [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diethylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 146149687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).