2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol

C19H20N4O — CID 135857087

IUPAC2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol
SMILESCCN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H20N4O/c1-3-23(2)14-10-8-13(9-11-14)16-12-21-19(20)22-18(16)15-6-4-5-7-17(15)24/h4-12,24H,3H2,1-2H3,(H2,20,21,22)
InChIKeyHYKZBGWNJJWFMO-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol

2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol (PubChem CID 135857087) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol
PubChem CID135857087
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol
SMILESCCN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H20N4O/c1-3-23(2)14-10-8-13(9-11-14)16-12-21-19(20)22-18(16)15-6-4-5-7-17(15)24/h4-12,24H,3H2,1-2H3,(H2,20,21,22)
InChIKeyHYKZBGWNJJWFMO-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol (CID 135857087) is 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol is CCN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol?
The InChIKey is HYKZBGWNJJWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-23(2)14-10-8-13(9-11-14)16-12-21-19(20)22-18(16)15-6-4-5-7-17(15)24/h4-12,24H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[4-[ethyl(methyl)amino]phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135857087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).