[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol

C21H34N4O2 — CID 70768702

IUPAC[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(C[C@@H]2CN(c3nccc(C4CCCC4)n3)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C21H34N4O2/c1-15-9-24(10-16(2)27-15)11-18-12-25(13-19(18)14-26)21-22-8-7-20(23-21)17-5-3-4-6-17/h7-8,15-19,26H,3-6,9-14H2,1-2H3/t15-,16+,18-,19-/m1/s1
InChIKeyHDFATEVQMYFUIG-UKBAYJJMSA-N
MW374.53 g/mol
LogP2.29
Rot. Bonds5

About [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 70768702) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID70768702
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(C[C@@H]2CN(c3nccc(C4CCCC4)n3)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C21H34N4O2/c1-15-9-24(10-16(2)27-15)11-18-12-25(13-19(18)14-26)21-22-8-7-20(23-21)17-5-3-4-6-17/h7-8,15-19,26H,3-6,9-14H2,1-2H3/t15-,16+,18-,19-/m1/s1
InChIKeyHDFATEVQMYFUIG-UKBAYJJMSA-N
XLogP2.29
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70713957
[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 72925052
[1-[[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 156606235
[(3S,4R)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124516
2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
CID 70707856
3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 154628081
N-[1-(4-cyclopentylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 156603239
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70786435
(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
CID 129446447
1-[5-[(3S,4S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone
CID 133113689
7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 56863787

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol (CID 70768702) is [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol is C[C@@H]1CN(C[C@@H]2CN(c3nccc(C4CCCC4)n3)C[C@@H]2CO)C[C@H](C)O1.
What is the InChIKey of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HDFATEVQMYFUIG-UKBAYJJMSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-9-24(10-16(2)27-15)11-18-12-25(13-19(18)14-26)21-22-8-7-20(23-21)17-5-3-4-6-17/h7-8,15-19,26H,3-6,9-14H2,1-2H3/t15-,16+,18-,19-/m1/s1.
What are the key properties of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 374.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70768702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).