6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine

C16H21N3O2 — CID 103491721

IUPAC6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyAKXFFMXVVNWWCX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds7

About 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine

6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 103491721) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID103491721
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyAKXFFMXVVNWWCX-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-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

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine (CID 103491721) is 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine is CCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is AKXFFMXVVNWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 103491721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).