2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

C11H19N5 — CID 151369939

IUPAC2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(CCN2CCCCC2)n1
InChIInChI=1S/C11H19N5/c12-9-8-10(13)15-11(14-9)4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyOQFMHOQXWGDYIL-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.67
Rot. Bonds3

About 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 151369939) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID151369939
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(CCN2CCCCC2)n1
InChIInChI=1S/C11H19N5/c12-9-8-10(13)15-11(14-9)4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H4,12,13,14,15)
InChIKeyOQFMHOQXWGDYIL-UHFFFAOYSA-N
XLogP0.67
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine (CID 151369939) is 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(CCN2CCCCC2)n1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is OQFMHOQXWGDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-9-8-10(13)15-11(14-9)4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H4,12,13,14,15).
What are the key properties of 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 151369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).