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

C16H28N4O2 — CID 70747135

IUPAC2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCc1nc(C)c(C)c(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1
InChIInChI=1S/C16H28N4O2/c1-11-12(2)17-13(3)18-16(11)20-8-14(15(9-20)10-22)7-19(4)5-6-21/h14-15,21-22H,5-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyMTIQFDGMRLUDEC-HUUCEWRRSA-N
MW308.43 g/mol
LogP0.37
Rot. Bonds6

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

2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol (PubChem CID 70747135) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
PubChem CID70747135
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCc1nc(C)c(C)c(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1
InChIInChI=1S/C16H28N4O2/c1-11-12(2)17-13(3)18-16(11)20-8-14(15(9-20)10-22)7-19(4)5-6-21/h14-15,21-22H,5-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyMTIQFDGMRLUDEC-HUUCEWRRSA-N
XLogP0.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol 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
2-[{[(3R*,4R*)-1-(4,6-dimethylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(ethyl)amino]ethanol
CID 70780535
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 164631085
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[2-(dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl}methanol
CID 72867773
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
1-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 56913328
[1-(2-Amino-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 10465648
(2S)-3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]propane-1,2-diol
CID 90453663

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol (CID 70747135) is 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol is Cc1nc(C)c(C)c(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1.
What is the InChIKey of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The InChIKey is MTIQFDGMRLUDEC-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-12(2)17-13(3)18-16(11)20-8-14(15(9-20)10-22)7-19(4)5-6-21/h14-15,21-22H,5-10H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol has a molecular weight of 308.43 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70747135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).