2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

C15H26N4O — CID 102966751

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCCC(OC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-9-12(2)17-15(18-14)11-19-8-5-6-13(10-19)20-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,17,18)
InChIKeyCQCGPSBZCPMXCN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds6

About 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 102966751) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID102966751
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCCC(OC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-9-12(2)17-15(18-14)11-19-8-5-6-13(10-19)20-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,17,18)
InChIKeyCQCGPSBZCPMXCN-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 102966751) is 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN2CCCC(OC)C2)n1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is CQCGPSBZCPMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-14-9-12(2)17-15(18-14)11-19-8-5-6-13(10-19)20-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102966751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).