2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol

C19H19N3O2 — CID 135477933

IUPAC2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol
SMILESCOc1cc(-c2nccc(N[C@@H](C)c3ccccc3)n2)ccc1O
InChIInChI=1S/C19H19N3O2/c1-13(14-6-4-3-5-7-14)21-18-10-11-20-19(22-18)15-8-9-16(23)17(12-15)24-2/h3-13,23H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyVSSRHFINAWKZTQ-ZDUSSCGKSA-N
MW321.38 g/mol
LogP4.03
Rot. Bonds5

About 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol

2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol (PubChem CID 135477933) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol
PubChem CID135477933
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol
SMILESCOc1cc(-c2nccc(N[C@@H](C)c3ccccc3)n2)ccc1O
InChIInChI=1S/C19H19N3O2/c1-13(14-6-4-3-5-7-14)21-18-10-11-20-19(22-18)15-8-9-16(23)17(12-15)24-2/h3-13,23H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyVSSRHFINAWKZTQ-ZDUSSCGKSA-N
XLogP4.03
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol 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-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol (CID 135477933) is 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol is COc1cc(-c2nccc(N[C@@H](C)c3ccccc3)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol?
The InChIKey is VSSRHFINAWKZTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(14-6-4-3-5-7-14)21-18-10-11-20-19(22-18)15-8-9-16(23)17(12-15)24-2/h3-13,23H,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol?
2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol has a molecular weight of 321.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]phenol is sourced from PubChem (CID 135477933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).