4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride

C12H20Cl2N4O — CID 66747394

IUPAC4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(OC2CCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C12H18N4O.2ClH/c1-2-10(3-1)17-12-8-11(14-9-15-12)16-6-4-13-5-7-16;;/h8-10,13H,1-7H2;2*1H
InChIKeyOYPYFVVSDQYOAK-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.66
Rot. Bonds3

About 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride

4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 66747394) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID66747394
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC Name4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(OC2CCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C12H18N4O.2ClH/c1-2-10(3-1)17-12-8-11(14-9-15-12)16-6-4-13-5-7-16;;/h8-10,13H,1-7H2;2*1H
InChIKeyOYPYFVVSDQYOAK-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride (CID 66747394) is 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.c1nc(OC2CCC2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is OYPYFVVSDQYOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c1-2-10(3-1)17-12-8-11(14-9-15-12)16-6-4-13-5-7-16;;/h8-10,13H,1-7H2;2*1H.
What are the key properties of 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride?
4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 307.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 66747394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).