3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol

C12H13N3O — CID 135894589

IUPAC3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol
SMILESCNc1cc(-c2ccc(O)cc2C)ncn1
InChIInChI=1S/C12H13N3O/c1-8-5-9(16)3-4-10(8)11-6-12(13-2)15-7-14-11/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyKHTRUPKEQVXTOM-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.20
Rot. Bonds2

About 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol

3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol (PubChem CID 135894589) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol
PubChem CID135894589
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol
SMILESCNc1cc(-c2ccc(O)cc2C)ncn1
InChIInChI=1S/C12H13N3O/c1-8-5-9(16)3-4-10(8)11-6-12(13-2)15-7-14-11/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyKHTRUPKEQVXTOM-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[6-(methylamino)pyrimidin-4-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 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol (CID 135894589) is 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol is CNc1cc(-c2ccc(O)cc2C)ncn1.
What is the InChIKey of 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol?
The InChIKey is KHTRUPKEQVXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-5-9(16)3-4-10(8)11-6-12(13-2)15-7-14-11/h3-7,16H,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol?
3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol has a molecular weight of 215.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[6-(methylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135894589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).