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

C13H22N4O — CID 102971529

IUPAC6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCCC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-5-12-15-11(14)8-13(16-12)17-7-4-6-10(9-17)18-2/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyLKBCHMJBESBXOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.63
Rot. Bonds4

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

6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 102971529) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
PubChem CID102971529
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCCC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-5-12-15-11(14)8-13(16-12)17-7-4-6-10(9-17)18-2/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyLKBCHMJBESBXOF-UHFFFAOYSA-N
XLogP1.63
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine (CID 102971529) is 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCCC(OC)C2)n1.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is LKBCHMJBESBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-12-15-11(14)8-13(16-12)17-7-4-6-10(9-17)18-2/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine?
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.63, 4 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)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 102971529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).