(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol

C21H27N5O2 — CID 51872207

IUPAC(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2c([C@@H](O)CN3CCN(c4nc(C)cc(C)n4)CC3)c[nH]c2c1
InChIInChI=1S/C21H27N5O2/c1-14-10-15(2)24-21(23-14)26-8-6-25(7-9-26)13-20(27)18-12-22-19-11-16(28-3)4-5-17(18)19/h4-5,10-12,20,22,27H,6-9,13H2,1-3H3/t20-/m0/s1
InChIKeySNBHMXKVQPVFAW-FQEVSTJZSA-N
MW381.48 g/mol
LogP2.44
Rot. Bonds5

About (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol

(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol (PubChem CID 51872207) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
PubChem CID51872207
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2c([C@@H](O)CN3CCN(c4nc(C)cc(C)n4)CC3)c[nH]c2c1
InChIInChI=1S/C21H27N5O2/c1-14-10-15(2)24-21(23-14)26-8-6-25(7-9-26)13-20(27)18-12-22-19-11-16(28-3)4-5-17(18)19/h4-5,10-12,20,22,27H,6-9,13H2,1-3H3/t20-/m0/s1
InChIKeySNBHMXKVQPVFAW-FQEVSTJZSA-N
XLogP2.44
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol with MolForge

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Related Compounds

(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
1'-[2-hydroxy-2-(6-methoxy-1H-indol-3-yl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955184
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
CID 7481670
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
(1S)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586347
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
CID 92556048
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol?
The IUPAC name of (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol (CID 51872207) is (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol is COc1ccc2c([C@@H](O)CN3CCN(c4nc(C)cc(C)n4)CC3)c[nH]c2c1.
What is the InChIKey of (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol?
The InChIKey is SNBHMXKVQPVFAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-10-15(2)24-21(23-14)26-8-6-25(7-9-26)13-20(27)18-12-22-19-11-16(28-3)4-5-17(18)19/h4-5,10-12,20,22,27H,6-9,13H2,1-3H3/t20-/m0/s1.
What are the key properties of (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol?
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol has a molecular weight of 381.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 51872207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).