5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine

C11H19N5 — CID 117212562

IUPAC5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1N1CCC(N)CC1
InChIInChI=1S/C11H19N5/c1-7-10(8(2)15-11(13)14-7)16-5-3-9(12)4-6-16/h9H,3-6,12H2,1-2H3,(H2,13,14,15)
InChIKeyMRHKSCKOXUHXLO-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.60
Rot. Bonds1

About 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine

5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 117212562) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID117212562
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1N1CCC(N)CC1
InChIInChI=1S/C11H19N5/c1-7-10(8(2)15-11(13)14-7)16-5-3-9(12)4-6-16/h9H,3-6,12H2,1-2H3,(H2,13,14,15)
InChIKeyMRHKSCKOXUHXLO-UHFFFAOYSA-N
XLogP0.60
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine (CID 117212562) is 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine is Cc1nc(N)nc(C)c1N1CCC(N)CC1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MRHKSCKOXUHXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-10(8(2)15-11(13)14-7)16-5-3-9(12)4-6-16/h9H,3-6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine?
5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 117212562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).