[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol

C21H34N4O2 — CID 72925052

IUPAC[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
SMILESCc1cc(C2CCC2)nc(N2C[C@@H](CN3CCC(CO)CC3)[C@@H](CO)C2)n1
InChIInChI=1S/C21H34N4O2/c1-15-9-20(17-3-2-4-17)23-21(22-15)25-11-18(19(12-25)14-27)10-24-7-5-16(13-26)6-8-24/h9,16-19,26-27H,2-8,10-14H2,1H3/t18-,19-/m1/s1
InChIKeyGZVVFYHVDRIHCY-RTBURBONSA-N
MW374.53 g/mol
LogP1.80
Rot. Bonds6

About [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol

[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 72925052) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID72925052
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
SMILESCc1cc(C2CCC2)nc(N2C[C@@H](CN3CCC(CO)CC3)[C@@H](CO)C2)n1
InChIInChI=1S/C21H34N4O2/c1-15-9-20(17-3-2-4-17)23-21(22-15)25-11-18(19(12-25)14-27)10-24-7-5-16(13-26)6-8-24/h9,16-19,26-27H,2-8,10-14H2,1H3/t18-,19-/m1/s1
InChIKeyGZVVFYHVDRIHCY-RTBURBONSA-N
XLogP1.80
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-[[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 156606235
1-[[(3R,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86285510
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70768702
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 56872555
[1-[[(3R,4R)-1-[(3-fluoro-5-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 72878019
6-[(3R,4R)-3-(hydroxymethyl)-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 72886174
4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 56873336
2-[(1R,5S)-3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133127739
(1S,3R)-7-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 133125277
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol
CID 70726777
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol (CID 72925052) is [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol is Cc1cc(C2CCC2)nc(N2C[C@@H](CN3CCC(CO)CC3)[C@@H](CO)C2)n1.
What is the InChIKey of [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is GZVVFYHVDRIHCY-RTBURBONSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-9-20(17-3-2-4-17)23-21(22-15)25-11-18(19(12-25)14-27)10-24-7-5-16(13-26)6-8-24/h9,16-19,26-27H,2-8,10-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
[1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 374.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 72925052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).