2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

C15H17N3O2 — CID 65351630

IUPAC2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(C2COCCO2)n1
InChIInChI=1S/C15H17N3O2/c1-16-14-9-12(11-5-3-2-4-6-11)17-15(18-14)13-10-19-7-8-20-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyIWYAIQIAYHBOFQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.27
Rot. Bonds3

About 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 65351630) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID65351630
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(C2COCCO2)n1
InChIInChI=1S/C15H17N3O2/c1-16-14-9-12(11-5-3-2-4-6-11)17-15(18-14)13-10-19-7-8-20-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyIWYAIQIAYHBOFQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-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

Related Compounds

N-methyl-2-(oxolan-2-yl)-6-phenylpyrimidin-4-amine
CID 65328775
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-6-phenyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638958
3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
CID 102494673
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
CID 65351840
2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821071
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 63479339
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 62190343
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 65351632

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (CID 65351630) is 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1cc(-c2ccccc2)nc(C2COCCO2)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is IWYAIQIAYHBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-14-9-12(11-5-3-2-4-6-11)17-15(18-14)13-10-19-7-8-20-13/h2-6,9,13H,7-8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 65351630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).