2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

C13H22N4O — CID 80806981

IUPAC2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(N)nc(C)n2)C1
InChIInChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14)15-10(2)16-13/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyXJQQZVDESZURNN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80806981) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID80806981
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(N)nc(C)n2)C1
InChIInChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14)15-10(2)16-13/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyXJQQZVDESZURNN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (CID 80806981) is 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is CCCOC1CCCN(c2cc(N)nc(C)n2)C1.
What is the InChIKey of 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XJQQZVDESZURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14)15-10(2)16-13/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80806981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).