[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol

C11H11ClN4O — CID 86004324

IUPAC[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
SMILESNc1nc(Cl)cc(Nc2ccc(CO)cc2)n1
InChIInChI=1S/C11H11ClN4O/c12-9-5-10(16-11(13)15-9)14-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H3,13,14,15,16)
InChIKeyYLZFHPSQHUTOSD-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.95
Rot. Bonds3

About [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol

[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol (PubChem CID 86004324) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
PubChem CID86004324
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
SMILESNc1nc(Cl)cc(Nc2ccc(CO)cc2)n1
InChIInChI=1S/C11H11ClN4O/c12-9-5-10(16-11(13)15-9)14-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H3,13,14,15,16)
InChIKeyYLZFHPSQHUTOSD-UHFFFAOYSA-N
XLogP1.95
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol 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

(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-yl)amino)phenyl)methanol
CID 74221497
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
[4-[[4-[Cyclohexyl(methyl)amino]pyrimidin-2-yl]amino]phenyl]methanol
CID 156021951
[4-[[5-Chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]phenyl]methanol
CID 168291501
Amino-[4-[[4-(2-chloroanilino)pyrimidin-2-yl]amino]phenyl]methanol
CID 124081218
2-(4-((6-(3-Chlorophenyl)-2-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90112479
1-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)ethane-1,2-diol
CID 90112738
2-(4-((2-Amino-6-chloropyrimidin-4-yl)amino)phenyl)ethanol
CID 240838
p-(2-Amino-6-chloro-4-pyrimidinylamino)benzoic acid
CID 42589451
2-chloro-5-fluoro-N4-[4-(hydroxymethyl)phenyl]4-pyrimidineamine
CID 22060480
1-{4-[2-Amino-6-(5-chloro-2-methyl-phenyl)-pyrimidin-4-ylamino]-phenyl}-2,2,2-trifluoro-ethanol
CID 42606402
(4-(4-Chloro-5-(trifluoromethyl)pyrimidin-2-ylamino)phenyl)methanol
CID 57584696

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol (CID 86004324) is [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol is Nc1nc(Cl)cc(Nc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol?
The InChIKey is YLZFHPSQHUTOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-5-10(16-11(13)15-9)14-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H3,13,14,15,16).
What are the key properties of [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol?
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol has a molecular weight of 250.69 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 86004324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).