6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H28N4O — CID 102971484

IUPAC6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(OC)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-14(12(2)3)16(19-11-18-15)20-9-6-7-13(10-20)21-4/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyNZVYZQNCBHMNRZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.04
Rot. Bonds6

About 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 102971484) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID102971484
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(OC)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-14(12(2)3)16(19-11-18-15)20-9-6-7-13(10-20)21-4/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyNZVYZQNCBHMNRZ-UHFFFAOYSA-N
XLogP3.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-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-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 102971484) is 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC(OC)C2)c1C(C)C.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is NZVYZQNCBHMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-17-15-14(12(2)3)16(19-11-18-15)20-9-6-7-13(10-20)21-4/h11-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102971484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).