4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine

C16H28N4O — CID 115973542

IUPAC4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(C)cc(OCC)n1
InChIInChI=1S/C16H28N4O/c1-4-10-20(12-14-6-8-17-9-7-14)16-18-13(3)11-15(19-16)21-5-2/h11,14,17H,4-10,12H2,1-3H3
InChIKeyZXUPBMBFFCWUHA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.40
Rot. Bonds7

About 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine

4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine (PubChem CID 115973542) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
PubChem CID115973542
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(C)cc(OCC)n1
InChIInChI=1S/C16H28N4O/c1-4-10-20(12-14-6-8-17-9-7-14)16-18-13(3)11-15(19-16)21-5-2/h11,14,17H,4-10,12H2,1-3H3
InChIKeyZXUPBMBFFCWUHA-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-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-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine (CID 115973542) is 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine is CCCN(CC1CCNCC1)c1nc(C)cc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The InChIKey is ZXUPBMBFFCWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-10-20(12-14-6-8-17-9-7-14)16-18-13(3)11-15(19-16)21-5-2/h11,14,17H,4-10,12H2,1-3H3.
What are the key properties of 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 115973542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).