[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

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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).