N-benzyl-4-methoxy-6-methylpyrimidin-2-amine

C13H15N3O — CID 721062

IUPACN-benzyl-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-12(17-2)16-13(15-10)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyICJHVXXNJRHDMW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds4

About N-benzyl-4-methoxy-6-methylpyrimidin-2-amine

N-benzyl-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 721062) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-benzyl-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID721062
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-benzyl-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-12(17-2)16-13(15-10)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyICJHVXXNJRHDMW-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methoxy-6-methylpyrimidin-2-amine (CID 721062) is N-benzyl-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is ICJHVXXNJRHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-8-12(17-2)16-13(15-10)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-benzyl-4-methoxy-6-methylpyrimidin-2-amine?
N-benzyl-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 721062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).