4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine

C18H23N3O2 — CID 141074252

IUPAC4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(NCCOC2CCCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-14-13-16(15-7-3-2-4-8-15)21-18(20-14)19-10-12-23-17-9-5-6-11-22-17/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyPQKQUAJFWZZMJD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.41
Rot. Bonds6

About 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine

4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine (PubChem CID 141074252) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine
PubChem CID141074252
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(NCCOC2CCCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-14-13-16(15-7-3-2-4-8-15)21-18(20-14)19-10-12-23-17-9-5-6-11-22-17/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyPQKQUAJFWZZMJD-UHFFFAOYSA-N
XLogP3.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-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 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine (CID 141074252) is 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine is Cc1cc(-c2ccccc2)nc(NCCOC2CCCCO2)n1.
What is the InChIKey of 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine?
The InChIKey is PQKQUAJFWZZMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-13-16(15-7-3-2-4-8-15)21-18(20-14)19-10-12-23-17-9-5-6-11-22-17/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20,21).
What are the key properties of 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine?
4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(oxan-2-yloxy)ethyl]-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 141074252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).