3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol

C14H17N3O2 — CID 97192755

IUPAC3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cnc(NC[C@H](O)c2cccc(O)c2)nc1
InChIInChI=1S/C14H17N3O2/c1-2-10-7-15-14(16-8-10)17-9-13(19)11-4-3-5-12(18)6-11/h3-8,13,18-19H,2,9H2,1H3,(H,15,16,17)/t13-/m0/s1
InChIKeySPAWRZYKMRRKLP-ZDUSSCGKSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds5

About 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol

3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol (PubChem CID 97192755) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
PubChem CID97192755
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
SMILESCCc1cnc(NC[C@H](O)c2cccc(O)c2)nc1
InChIInChI=1S/C14H17N3O2/c1-2-10-7-15-14(16-8-10)17-9-13(19)11-4-3-5-12(18)6-11/h3-8,13,18-19H,2,9H2,1H3,(H,15,16,17)/t13-/m0/s1
InChIKeySPAWRZYKMRRKLP-ZDUSSCGKSA-N
XLogP1.89
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95869952
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
(4-ethylphenyl)methyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium
CID 7827259
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-[1-hydroxy-2-(prop-2-enylamino)ethyl]phenol;hydrochloride
CID 70405154

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol (CID 97192755) is 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol is CCc1cnc(NC[C@H](O)c2cccc(O)c2)nc1.
What is the InChIKey of 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol?
The InChIKey is SPAWRZYKMRRKLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-10-7-15-14(16-8-10)17-9-13(19)11-4-3-5-12(18)6-11/h3-8,13,18-19H,2,9H2,1H3,(H,15,16,17)/t13-/m0/s1.
What are the key properties of 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol?
3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 97192755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).