2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol

C21H28N4O2 — CID 136831902

IUPAC2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol
SMILESCO[C@@H]1CCN(C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)C1
InChIInChI=1S/C21H28N4O2/c1-15-13-20(23-21(22-15)18-5-3-4-6-19(18)26)24-10-7-16(8-11-24)25-12-9-17(14-25)27-2/h3-6,13,16-17,26H,7-12,14H2,1-2H3/t17-/m1/s1
InChIKeyJZKUXTWUWOWDFC-QGZVFWFLSA-N
MW368.48 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol

2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 136831902) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol
PubChem CID136831902
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol
SMILESCO[C@@H]1CCN(C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)C1
InChIInChI=1S/C21H28N4O2/c1-15-13-20(23-21(22-15)18-5-3-4-6-19(18)26)24-10-7-16(8-11-24)25-12-9-17(14-25)27-2/h3-6,13,16-17,26H,7-12,14H2,1-2H3/t17-/m1/s1
InChIKeyJZKUXTWUWOWDFC-QGZVFWFLSA-N
XLogP2.85
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 137030213
methyl 2-[(3S)-1-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetate
CID 136699242
2-[4-methyl-6-[4-[[(3S)-oxolan-3-yl]methylamino]piperidin-1-yl]pyrimidin-2-yl]phenol
CID 136831945
2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol
CID 136858370
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514
2-[4-methyl-6-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]phenol
CID 137314021
2-[4-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-methylpyrimidin-2-yl]phenol
CID 137027897
9-hydroxy-3-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylic acid
CID 137288365
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235
2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine
CID 59535820
4-[4-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutane-1-sulfonamide
CID 137253254
2-[4-[(1S,2S,4R)-2-ethyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-6-methylpyrimidin-2-yl]phenol
CID 165420452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol (CID 136831902) is 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol is CO[C@@H]1CCN(C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)C1.
What is the InChIKey of 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is JZKUXTWUWOWDFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-13-20(23-21(22-15)18-5-3-4-6-19(18)26)24-10-7-16(8-11-24)25-12-9-17(14-25)27-2/h3-6,13,16-17,26H,7-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 368.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136831902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).