4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine

C18H19N3O — CID 781079

IUPAC4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESCOC(C)(C)c1cc(-c2cccc3ccccc23)nc(N)n1
InChIInChI=1S/C18H19N3O/c1-18(2,22-3)16-11-15(20-17(19)21-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyRVRHAIXFPIXMGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds3

About 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine

4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 781079) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine
PubChem CID781079
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESCOC(C)(C)c1cc(-c2cccc3ccccc23)nc(N)n1
InChIInChI=1S/C18H19N3O/c1-18(2,22-3)16-11-15(20-17(19)21-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyRVRHAIXFPIXMGW-UHFFFAOYSA-N
XLogP3.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-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-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine (CID 781079) is 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine is COC(C)(C)c1cc(-c2cccc3ccccc23)nc(N)n1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is RVRHAIXFPIXMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,22-3)16-11-15(20-17(19)21-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine?
4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-6-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 781079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).