1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride

C13H17ClN4O — CID 71786077

IUPAC1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride
SMILESCc1cc(N)nc(Nc2cccc(C(C)O)c2)n1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-8-6-12(14)17-13(15-8)16-11-5-3-4-10(7-11)9(2)18;/h3-7,9,18H,1-2H3,(H3,14,15,16,17);1H
InChIKeyWPCGEACBFWMUTA-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.59
Rot. Bonds3

About 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride

1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride (PubChem CID 71786077) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride
PubChem CID71786077
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride
SMILESCc1cc(N)nc(Nc2cccc(C(C)O)c2)n1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-8-6-12(14)17-13(15-8)16-11-5-3-4-10(7-11)9(2)18;/h3-7,9,18H,1-2H3,(H3,14,15,16,17);1H
InChIKeyWPCGEACBFWMUTA-UHFFFAOYSA-N
XLogP2.59
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride?
The IUPAC name of 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride (CID 71786077) is 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride?
The canonical SMILES for 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride is Cc1cc(N)nc(Nc2cccc(C(C)O)c2)n1.Cl.
What is the InChIKey of 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride?
The InChIKey is WPCGEACBFWMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c1-8-6-12(14)17-13(15-8)16-11-5-3-4-10(7-11)9(2)18;/h3-7,9,18H,1-2H3,(H3,14,15,16,17);1H.
What are the key properties of 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride?
1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-amino-6-methylpyrimidin-2-yl)amino]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 71786077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).