N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

C13H12N4O — CID 854816

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1cc(C)nc(Nc2nc3ccccc3o2)n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)15-12(14-8)17-13-16-10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyFUZSURLWERISAS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.98
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 854816) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID854816
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1cc(C)nc(Nc2nc3ccccc3o2)n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)15-12(14-8)17-13-16-10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyFUZSURLWERISAS-UHFFFAOYSA-N
XLogP2.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine 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 N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (CID 854816) is N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is Cc1cc(C)nc(Nc2nc3ccccc3o2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is FUZSURLWERISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-7-9(2)15-12(14-8)17-13-16-10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).