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

C13H21N3O2 — CID 164631085

IUPAC[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(C)c(C)c(N2C[C@H](CO)[C@@H](CO)C2)n1
InChIInChI=1S/C13H21N3O2/c1-8-9(2)14-10(3)15-13(8)16-4-11(6-17)12(5-16)7-18/h11-12,17-18H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyLHRLOBWXJDJQQI-VXGBXAGGSA-N
MW251.33 g/mol
LogP0.44
Rot. Bonds3

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

[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 164631085) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID164631085
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(C)c(C)c(N2C[C@H](CO)[C@@H](CO)C2)n1
InChIInChI=1S/C13H21N3O2/c1-8-9(2)14-10(3)15-13(8)16-4-11(6-17)12(5-16)7-18/h11-12,17-18H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyLHRLOBWXJDJQQI-VXGBXAGGSA-N
XLogP0.44
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3R*,4R*)-4-{[[2-(dimethylamino)ethyl](methyl)amino]methyl}-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70707087
[(3R,4R)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70747264
2-(ethyl{[(3R*,4R*)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}amino)ethanol
CID 70759746
[(3R*,4R*)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70780228
(1-{[Methyl(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72893328
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[2-(dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl}methanol
CID 72867773
1-[1-(5-Fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092
(3S,4S)-4-(trifluoromethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122063828
(3S,4S)-1-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 137932212
4-[3-Fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
CID 171992582
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70747135
[1-(2-Amino-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 10465648

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 164631085) is [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is Cc1nc(C)c(C)c(N2C[C@H](CO)[C@@H](CO)C2)n1.
What is the InChIKey of [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is LHRLOBWXJDJQQI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-9(2)14-10(3)15-13(8)16-4-11(6-17)12(5-16)7-18/h11-12,17-18H,4-7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164631085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).