1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride

C12H14ClN3O — CID 17118

IUPAC1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride
SMILESCl.OC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3O.ClH/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12;/h1-8,11,16H,9H2,(H,13,14,15);1H
InChIKeyMEDWIGMHHZRIOP-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.04
Rot. Bonds4

About 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride

1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride (PubChem CID 17118) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride
PubChem CID17118
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride
SMILESCl.OC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3O.ClH/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12;/h1-8,11,16H,9H2,(H,13,14,15);1H
InChIKeyMEDWIGMHHZRIOP-UHFFFAOYSA-N
XLogP2.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
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Phenyramidol Hydrochloride
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CID 77620524
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
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(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530275
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530290
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride (CID 17118) is 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride is Cl.OC(CNc1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride?
The InChIKey is MEDWIGMHHZRIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12;/h1-8,11,16H,9H2,(H,13,14,15);1H.
What are the key properties of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride?
1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 17118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).