3-[2-(pyrimidin-2-ylamino)ethyl]phenol

C12H13N3O — CID 133291508

IUPAC3-[2-(pyrimidin-2-ylamino)ethyl]phenol
SMILESOc1cccc(CCNc2ncccn2)c1
InChIInChI=1S/C12H13N3O/c16-11-4-1-3-10(9-11)5-8-15-12-13-6-2-7-14-12/h1-4,6-7,9,16H,5,8H2,(H,13,14,15)
InChIKeyZZIBDEAWJMQSRU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.84
Rot. Bonds4

About 3-[2-(pyrimidin-2-ylamino)ethyl]phenol

3-[2-(pyrimidin-2-ylamino)ethyl]phenol (PubChem CID 133291508) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[2-(pyrimidin-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(pyrimidin-2-ylamino)ethyl]phenol
PubChem CID133291508
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[2-(pyrimidin-2-ylamino)ethyl]phenol
SMILESOc1cccc(CCNc2ncccn2)c1
InChIInChI=1S/C12H13N3O/c16-11-4-1-3-10(9-11)5-8-15-12-13-6-2-7-14-12/h1-4,6-7,9,16H,5,8H2,(H,13,14,15)
InChIKeyZZIBDEAWJMQSRU-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(pyrimidin-2-ylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethylamino)phenol
CID 28722392
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
3-[2-(3-ethynylanilino)ethyl]phenol
CID 175469340
N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine
CID 164649589
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[2-[[4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603468
3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 133305899
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
3-[2-[[4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603371
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrimidin-2-ylamino)ethyl]phenol?
The IUPAC name of 3-[2-(pyrimidin-2-ylamino)ethyl]phenol (CID 133291508) is 3-[2-(pyrimidin-2-ylamino)ethyl]phenol.
What is the SMILES notation for 3-[2-(pyrimidin-2-ylamino)ethyl]phenol?
The canonical SMILES for 3-[2-(pyrimidin-2-ylamino)ethyl]phenol is Oc1cccc(CCNc2ncccn2)c1.
What is the InChIKey of 3-[2-(pyrimidin-2-ylamino)ethyl]phenol?
The InChIKey is ZZIBDEAWJMQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11-4-1-3-10(9-11)5-8-15-12-13-6-2-7-14-12/h1-4,6-7,9,16H,5,8H2,(H,13,14,15).
What are the key properties of 3-[2-(pyrimidin-2-ylamino)ethyl]phenol?
3-[2-(pyrimidin-2-ylamino)ethyl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrimidin-2-ylamino)ethyl]phenol is sourced from PubChem (CID 133291508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).