6-piperazin-1-ylpyrimidine-2,4-diamine

C8H14N6 — CID 21363888

IUPAC6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1cc(N2CCNCC2)nc(N)n1
InChIInChI=1S/C8H14N6/c9-6-5-7(13-8(10)12-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H4,9,10,12,13)
InChIKeyUFTGFBAOILEKOZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.95
Rot. Bonds1

About 6-piperazin-1-ylpyrimidine-2,4-diamine

6-piperazin-1-ylpyrimidine-2,4-diamine (PubChem CID 21363888) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-piperazin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-piperazin-1-ylpyrimidine-2,4-diamine
PubChem CID21363888
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1cc(N2CCNCC2)nc(N)n1
InChIInChI=1S/C8H14N6/c9-6-5-7(13-8(10)12-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H4,9,10,12,13)
InChIKeyUFTGFBAOILEKOZ-UHFFFAOYSA-N
XLogP-0.95
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-piperazin-1-ylpyrimidine-2,4-diamine (CID 21363888) is 6-piperazin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-piperazin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-piperazin-1-ylpyrimidine-2,4-diamine is Nc1cc(N2CCNCC2)nc(N)n1.
What is the InChIKey of 6-piperazin-1-ylpyrimidine-2,4-diamine?
The InChIKey is UFTGFBAOILEKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c9-6-5-7(13-8(10)12-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H4,9,10,12,13).
What are the key properties of 6-piperazin-1-ylpyrimidine-2,4-diamine?
6-piperazin-1-ylpyrimidine-2,4-diamine has a molecular weight of 194.24 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 21363888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).