2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C19H27N5O — CID 45172266

IUPAC2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESNc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1
InChIInChI=1S/C19H27N5O/c20-19-21-12-17(13-22-19)14-23-9-10-24(18(15-23)7-11-25)8-6-16-4-2-1-3-5-16/h1-5,12-13,18,25H,6-11,14-15H2,(H2,20,21,22)
InChIKeyIERHGZAMOZGRRM-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.17
Rot. Bonds7

About 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 45172266) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID45172266
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESNc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1
InChIInChI=1S/C19H27N5O/c20-19-21-12-17(13-22-19)14-23-9-10-24(18(15-23)7-11-25)8-6-16-4-2-1-3-5-16/h1-5,12-13,18,25H,6-11,14-15H2,(H2,20,21,22)
InChIKeyIERHGZAMOZGRRM-UHFFFAOYSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
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CID 29185332
2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45182539
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 45172266) is 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is Nc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1.
What is the InChIKey of 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is IERHGZAMOZGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c20-19-21-12-17(13-22-19)14-23-9-10-24(18(15-23)7-11-25)8-6-16-4-2-1-3-5-16/h1-5,12-13,18,25H,6-11,14-15H2,(H2,20,21,22).
What are the key properties of 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 341.46 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45172266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).