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

C14H18N4O2 — CID 12764720

IUPAC2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)nc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4O2/c1-11-10-13(18(6-8-19)7-9-20)17-14(16-11)12-2-4-15-5-3-12/h2-5,10,19-20H,6-9H2,1H3
InChIKeyBGLAHYHGODZVQH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds6

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

2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 12764720) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
PubChem CID12764720
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)nc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4O2/c1-11-10-13(18(6-8-19)7-9-20)17-14(16-11)12-2-4-15-5-3-12/h2-5,10,19-20H,6-9H2,1H3
InChIKeyBGLAHYHGODZVQH-UHFFFAOYSA-N
XLogP0.64
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol (CID 12764720) is 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol is Cc1cc(N(CCO)CCO)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is BGLAHYHGODZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-10-13(18(6-8-19)7-9-20)17-14(16-11)12-2-4-15-5-3-12/h2-5,10,19-20H,6-9H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol?
2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 274.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 12764720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).