N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine

C15H19N3O — CID 133403156

IUPACN-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOCC(Nc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-9-12(2)17-15(16-11)18-14(10-19-3)13-7-5-4-6-8-13/h4-9,14H,10H2,1-3H3,(H,16,17,18)
InChIKeyODPAIPDFOWNWEW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.89
Rot. Bonds5

About N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine

N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 133403156) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID133403156
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOCC(Nc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-9-12(2)17-15(16-11)18-14(10-19-3)13-7-5-4-6-8-13/h4-9,14H,10H2,1-3H3,(H,16,17,18)
InChIKeyODPAIPDFOWNWEW-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine (CID 133403156) is N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine is COCC(Nc1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is ODPAIPDFOWNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-12(2)17-15(16-11)18-14(10-19-3)13-7-5-4-6-8-13/h4-9,14H,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine?
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133403156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).