2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol

C17H15N3O — CID 135771908

IUPAC2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol
SMILESCc1cccc(-c2cc(-c3ccccc3O)nc(N)n2)c1
InChIInChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)14-10-15(20-17(18)19-14)13-7-2-3-8-16(13)21/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyHAJPZZQLMMLXOE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.41
Rot. Bonds2

About 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol

2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol (PubChem CID 135771908) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol
PubChem CID135771908
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol
SMILESCc1cccc(-c2cc(-c3ccccc3O)nc(N)n2)c1
InChIInChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)14-10-15(20-17(18)19-14)13-7-2-3-8-16(13)21/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyHAJPZZQLMMLXOE-UHFFFAOYSA-N
XLogP3.41
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol (CID 135771908) is 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol is Cc1cccc(-c2cc(-c3ccccc3O)nc(N)n2)c1.
What is the InChIKey of 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol?
The InChIKey is HAJPZZQLMMLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)14-10-15(20-17(18)19-14)13-7-2-3-8-16(13)21/h2-10,21H,1H3,(H2,18,19,20).
What are the key properties of 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135771908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).