2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine

C14H17N3O — CID 102551446

IUPAC2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-9-4-6-11(7-5-9)12-8-13(15)17-14(16-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17)
InChIKeyDHMWXXOMJMCASB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds3

About 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine

2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 102551446) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine
PubChem CID102551446
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-9-4-6-11(7-5-9)12-8-13(15)17-14(16-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17)
InChIKeyDHMWXXOMJMCASB-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-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 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine (CID 102551446) is 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine is COC(C)c1nc(N)cc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is DHMWXXOMJMCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-6-11(7-5-9)12-8-13(15)17-14(16-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17).
What are the key properties of 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine?
2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 102551446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).