[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol

C18H24N4O2 — CID 77080984

IUPAC[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCOc1ccccc1-c1ncc(CN2CCN(C)C(CO)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-7-8-22(12-15(21)13-23)11-14-9-19-18(20-10-14)16-5-3-4-6-17(16)24-2/h3-6,9-10,15,23H,7-8,11-13H2,1-2H3
InChIKeyZKTRLPXXODBYTG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.26
Rot. Bonds5

About [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol

[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 77080984) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID77080984
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCOc1ccccc1-c1ncc(CN2CCN(C)C(CO)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-21-7-8-22(12-15(21)13-23)11-14-9-19-18(20-10-14)16-5-3-4-6-17(16)24-2/h3-6,9-10,15,23H,7-8,11-13H2,1-2H3
InChIKeyZKTRLPXXODBYTG-UHFFFAOYSA-N
XLogP1.26
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
CID 133117855
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99930583
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
CID 155503021
[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684
(2S,5S)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-5-methylpyrrolidine-2-carboxylic acid
CID 138003268
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
3a-methoxy-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 156607692
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51903451
2-[4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45216279
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol (CID 77080984) is [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol is COc1ccccc1-c1ncc(CN2CCN(C)C(CO)C2)cn1.
What is the InChIKey of [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is ZKTRLPXXODBYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-7-8-22(12-15(21)13-23)11-14-9-19-18(20-10-14)16-5-3-4-6-17(16)24-2/h3-6,9-10,15,23H,7-8,11-13H2,1-2H3.
What are the key properties of [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 77080984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).