2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol

C19H19N3O — CID 719263

IUPAC2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1ccc(C)c(Nc2cc(C)nc(-c3ccccc3O)n2)c1
InChIInChI=1S/C19H19N3O/c1-12-8-9-13(2)16(10-12)21-18-11-14(3)20-19(22-18)15-6-4-5-7-17(15)23/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyPVDLWJJPWMLVQS-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.52
Rot. Bonds3

About 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol

2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol (PubChem CID 719263) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol
PubChem CID719263
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1ccc(C)c(Nc2cc(C)nc(-c3ccccc3O)n2)c1
InChIInChI=1S/C19H19N3O/c1-12-8-9-13(2)16(10-12)21-18-11-14(3)20-19(22-18)15-6-4-5-7-17(15)23/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyPVDLWJJPWMLVQS-UHFFFAOYSA-N
XLogP4.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol (CID 719263) is 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol is Cc1ccc(C)c(Nc2cc(C)nc(-c3ccccc3O)n2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is PVDLWJJPWMLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-8-9-13(2)16(10-12)21-18-11-14(3)20-19(22-18)15-6-4-5-7-17(15)23/h4-11,23H,1-3H3,(H,20,21,22).
What are the key properties of 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol?
2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 719263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).