[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol

C20H34N4O2 — CID 70786435

IUPAC[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cn1
InChIInChI=1S/C20H34N4O2/c1-14(2)20-21-5-17(6-22-20)9-24-11-18(19(12-24)13-25)10-23-7-15(3)26-16(4)8-23/h5-6,14-16,18-19,25H,7-13H2,1-4H3/t15-,16+,18-,19-/m1/s1
InChIKeyGARKBCICGWILRI-UKBAYJJMSA-N
MW362.52 g/mol
LogP1.75
Rot. Bonds6

About [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol

[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70786435) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70786435
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cn1
InChIInChI=1S/C20H34N4O2/c1-14(2)20-21-5-17(6-22-20)9-24-11-18(19(12-24)13-25)10-23-7-15(3)26-16(4)8-23/h5-6,14-16,18-19,25H,7-13H2,1-4H3/t15-,16+,18-,19-/m1/s1
InChIKeyGARKBCICGWILRI-UKBAYJJMSA-N
XLogP1.75
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70724361
[(3S,4R)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124516
4-[[(3S,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 72899352
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382
[(3R,4S)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 70726968
[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 70761278
[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70713957
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 133128512
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70788915
1-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 70787109
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70716708
1-[(3S,4S)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 133129660

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(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) is [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol is CC(C)c1ncc(CN2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cn1.
What is the InChIKey of [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is GARKBCICGWILRI-UKBAYJJMSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-14(2)20-21-5-17(6-22-20)9-24-11-18(19(12-24)13-25)10-23-7-15(3)26-16(4)8-23/h5-6,14-16,18-19,25H,7-13H2,1-4H3/t15-,16+,18-,19-/m1/s1.
What are the key properties of [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 362.52 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70786435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).