2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol

C19H27N5O2 — CID 56903348

IUPAC2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(c2ccnc(N)n2)CC1CCO
InChIInChI=1S/C19H27N5O2/c1-2-26-17-6-4-3-5-15(17)13-23-10-11-24(14-16(23)8-12-25)18-7-9-21-19(20)22-18/h3-7,9,16,25H,2,8,10-14H2,1H3,(H2,20,21,22)
InChIKeyUYSIBZLXMQFMER-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.53
Rot. Bonds7

About 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 56903348) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID56903348
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(c2ccnc(N)n2)CC1CCO
InChIInChI=1S/C19H27N5O2/c1-2-26-17-6-4-3-5-15(17)13-23-10-11-24(14-16(23)8-12-25)18-7-9-21-19(20)22-18/h3-7,9,16,25H,2,8,10-14H2,1H3,(H2,20,21,22)
InChIKeyUYSIBZLXMQFMER-UHFFFAOYSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-4-(3-chloro-2-pyridinyl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95861594
2-[4-(2-aminopyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 70718715
2-[(3R)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 98771608
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51634123
2-[4-[(2-chlorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228561
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
2-[4-(1,4-dithiepan-6-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228412
2-[(2R)-4-[(2,6-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98572077
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 51627130
2-[1-[(2-ethoxyphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45194245
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733578
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-2-yl]ethanol
CID 29151277

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 56903348) is 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is CCOc1ccccc1CN1CCN(c2ccnc(N)n2)CC1CCO.
What is the InChIKey of 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is UYSIBZLXMQFMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-26-17-6-4-3-5-15(17)13-23-10-11-24(14-16(23)8-12-25)18-7-9-21-19(20)22-18/h3-7,9,16,25H,2,8,10-14H2,1H3,(H2,20,21,22).
What are the key properties of 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 357.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 56903348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).