2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine

C11H19N5 — CID 83028170

IUPAC2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NN2CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-2-10-13-9(12)8-11(14-10)15-16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyKNSCOCCIMIAKPZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.43
Rot. Bonds3

About 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine

2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 83028170) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID83028170
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NN2CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-2-10-13-9(12)8-11(14-10)15-16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyKNSCOCCIMIAKPZ-UHFFFAOYSA-N
XLogP1.43
TPSA67.07 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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine (CID 83028170) is 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine is CCc1nc(N)cc(NN2CCCCC2)n1.
What is the InChIKey of 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is KNSCOCCIMIAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-10-13-9(12)8-11(14-10)15-16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 83028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).