4-[(6-chloropyrimidin-4-yl)amino]phenol

C10H8ClN3O — CID 18009128

IUPAC4-[(6-chloropyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H8ClN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h1-6,15H,(H,12,13,14)
InChIKeyRKUKETLCHBVOQF-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.58
Rot. Bonds2

About 4-[(6-chloropyrimidin-4-yl)amino]phenol

4-[(6-chloropyrimidin-4-yl)amino]phenol (PubChem CID 18009128) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 4-[(6-chloropyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6-chloropyrimidin-4-yl)amino]phenol
PubChem CID18009128
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name4-[(6-chloropyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H8ClN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h1-6,15H,(H,12,13,14)
InChIKeyRKUKETLCHBVOQF-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
6-(4-hydroxyanilino)pyrimidine-4-carboxylic acid
CID 68554703
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
4-(pyrimidin-4-ylamino)phenol
CID 115017243
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(6-chloropyrimidin-4-yl)amino]phenol (CID 18009128) is 4-[(6-chloropyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6-chloropyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6-chloropyrimidin-4-yl)amino]phenol is Oc1ccc(Nc2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-[(6-chloropyrimidin-4-yl)amino]phenol?
The InChIKey is RKUKETLCHBVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h1-6,15H,(H,12,13,14).
What are the key properties of 4-[(6-chloropyrimidin-4-yl)amino]phenol?
4-[(6-chloropyrimidin-4-yl)amino]phenol has a molecular weight of 221.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 18009128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).