[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol

C18H23N3O2 — CID 125014646

IUPAC[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@@H]2c2ccncn2)cc1CO
InChIInChI=1S/C18H23N3O2/c1-2-23-18-6-5-14(10-15(18)12-22)11-21-9-3-4-17(21)16-7-8-19-13-20-16/h5-8,10,13,17,22H,2-4,9,11-12H2,1H3/t17-/m1/s1
InChIKeyWNWXOYSZSAHGSI-QGZVFWFLSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds6

About [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 125014646) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID125014646
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@@H]2c2ccncn2)cc1CO
InChIInChI=1S/C18H23N3O2/c1-2-23-18-6-5-14(10-15(18)12-22)11-21-9-3-4-17(21)16-7-8-19-13-20-16/h5-8,10,13,17,22H,2-4,9,11-12H2,1H3/t17-/m1/s1
InChIKeyWNWXOYSZSAHGSI-QGZVFWFLSA-N
XLogP2.70
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
CID 77082765
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol (CID 125014646) is [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCC[C@@H]2c2ccncn2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is WNWXOYSZSAHGSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-18-6-5-14(10-15(18)12-22)11-21-9-3-4-17(21)16-7-8-19-13-20-16/h5-8,10,13,17,22H,2-4,9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 313.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 125014646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).