2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol

C18H18N4O2 — CID 75463539

IUPAC2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(C)nc(-c3ccncc3)n2)c1O
InChIInChI=1S/C18H18N4O2/c1-12-10-16(22-18(21-12)13-6-8-19-9-7-13)20-11-14-4-3-5-15(24-2)17(14)23/h3-10,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyWIUNCARJBRPSSZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.17
Rot. Bonds5

About 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol

2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 75463539) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID75463539
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(C)nc(-c3ccncc3)n2)c1O
InChIInChI=1S/C18H18N4O2/c1-12-10-16(22-18(21-12)13-6-8-19-9-7-13)20-11-14-4-3-5-15(24-2)17(14)23/h3-10,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyWIUNCARJBRPSSZ-UHFFFAOYSA-N
XLogP3.17
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol (CID 75463539) is 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol is COc1cccc(CNc2cc(C)nc(-c3ccncc3)n2)c1O.
What is the InChIKey of 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is WIUNCARJBRPSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-10-16(22-18(21-12)13-6-8-19-9-7-13)20-11-14-4-3-5-15(24-2)17(14)23/h3-10,23H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol?
2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 322.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 75463539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).