2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol

C18H17N3O — CID 719267

IUPAC2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol
SMILESCc1ccc(Nc2cc(C)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H17N3O/c1-12-7-9-14(10-8-12)20-17-11-13(2)19-18(21-17)15-5-3-4-6-16(15)22/h3-11,22H,1-2H3,(H,19,20,21)
InChIKeyMJKXDDXZCBYYCH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.21
Rot. Bonds3

About 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol

2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol (PubChem CID 719267) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol
PubChem CID719267
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol
SMILESCc1ccc(Nc2cc(C)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H17N3O/c1-12-7-9-14(10-8-12)20-17-11-13(2)19-18(21-17)15-5-3-4-6-16(15)22/h3-11,22H,1-2H3,(H,19,20,21)
InChIKeyMJKXDDXZCBYYCH-UHFFFAOYSA-N
XLogP4.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol (CID 719267) is 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol is Cc1ccc(Nc2cc(C)nc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol?
The InChIKey is MJKXDDXZCBYYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-7-9-14(10-8-12)20-17-11-13(2)19-18(21-17)15-5-3-4-6-16(15)22/h3-11,22H,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol?
2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 719267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).