1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol

C19H20N4O2 — CID 48931327

IUPAC1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
SMILESCOc1ccccc1C(O)CNc1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-18(23-19(22-13)14-7-9-20-10-8-14)21-12-16(24)15-5-3-4-6-17(15)25-2/h3-11,16,24H,12H2,1-2H3,(H,21,22,23)
InChIKeyYLRARWKXNFMVML-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol

1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 48931327) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
PubChem CID48931327
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
SMILESCOc1ccccc1C(O)CNc1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-18(23-19(22-13)14-7-9-20-10-8-14)21-12-16(24)15-5-3-4-6-17(15)25-2/h3-11,16,24H,12H2,1-2H3,(H,21,22,23)
InChIKeyYLRARWKXNFMVML-UHFFFAOYSA-N
XLogP3.00
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol (CID 48931327) is 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol is COc1ccccc1C(O)CNc1cc(C)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is YLRARWKXNFMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-18(23-19(22-13)14-7-9-20-10-8-14)21-12-16(24)15-5-3-4-6-17(15)25-2/h3-11,16,24H,12H2,1-2H3,(H,21,22,23).
What are the key properties of 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 336.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 48931327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).