N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine

C16H22N4O — CID 846090

IUPACN-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCN(C)C)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-13-11-15(21-10-9-20(2)3)19-16(18-13)17-12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,17,18,19)
InChIKeyPXSYMZRJSSXNBJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds7

About N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine

N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine (PubChem CID 846090) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine
PubChem CID846090
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCN(C)C)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-13-11-15(21-10-9-20(2)3)19-16(18-13)17-12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,17,18,19)
InChIKeyPXSYMZRJSSXNBJ-UHFFFAOYSA-N
XLogP2.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-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 N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine (CID 846090) is N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine is Cc1cc(OCCN(C)C)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine?
The InChIKey is PXSYMZRJSSXNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-11-15(21-10-9-20(2)3)19-16(18-13)17-12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,17,18,19).
What are the key properties of N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine?
N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(dimethylamino)ethoxy]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 846090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).