4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine

C11H19N5 — CID 22329438

IUPAC4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCNc1nc(N2CCCCC2)nc(N)c1C
InChIInChI=1S/C11H19N5/c1-8-9(12)14-11(15-10(8)13-2)16-6-4-3-5-7-16/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyJNRUFMXCFBYYMM-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.40
Rot. Bonds2

About 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine

4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 22329438) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID22329438
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESCNc1nc(N2CCCCC2)nc(N)c1C
InChIInChI=1S/C11H19N5/c1-8-9(12)14-11(15-10(8)13-2)16-6-4-3-5-7-16/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyJNRUFMXCFBYYMM-UHFFFAOYSA-N
XLogP1.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine (CID 22329438) is 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine is CNc1nc(N2CCCCC2)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is JNRUFMXCFBYYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-9(12)14-11(15-10(8)13-2)16-6-4-3-5-7-16/h3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine?
4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 22329438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).