2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

C15H19N3O2 — CID 62201725

IUPAC2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(OC)ccc2OC)nc(C)c1C
InChIInChI=1S/C15H19N3O2/c1-9-10(2)17-15(18-14(9)16-3)12-8-11(19-4)6-7-13(12)20-5/h6-8H,1-5H3,(H,16,17,18)
InChIKeyBEFKEKFQROMVHA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62201725) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62201725
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(OC)ccc2OC)nc(C)c1C
InChIInChI=1S/C15H19N3O2/c1-9-10(2)17-15(18-14(9)16-3)12-8-11(19-4)6-7-13(12)20-5/h6-8H,1-5H3,(H,16,17,18)
InChIKeyBEFKEKFQROMVHA-UHFFFAOYSA-N
XLogP2.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (CID 62201725) is 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2cc(OC)ccc2OC)nc(C)c1C.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is BEFKEKFQROMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-10(2)17-15(18-14(9)16-3)12-8-11(19-4)6-7-13(12)20-5/h6-8H,1-5H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62201725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).