2,4-di(piperazin-1-yl)pyrimidine

C12H20N6 — CID 6610945

IUPAC2,4-di(piperazin-1-yl)pyrimidine
SMILESc1cc(N2CCNCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C12H20N6/c1-2-15-12(18-9-5-14-6-10-18)16-11(1)17-7-3-13-4-8-17/h1-2,13-14H,3-10H2
InChIKeyDFWOUSSTLCHQHL-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.70
Rot. Bonds2

About 2,4-di(piperazin-1-yl)pyrimidine

2,4-di(piperazin-1-yl)pyrimidine (PubChem CID 6610945) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,4-di(piperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-di(piperazin-1-yl)pyrimidine
PubChem CID6610945
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2,4-di(piperazin-1-yl)pyrimidine
SMILESc1cc(N2CCNCC2)nc(N2CCNCC2)n1
InChIInChI=1S/C12H20N6/c1-2-15-12(18-9-5-14-6-10-18)16-11(1)17-7-3-13-4-8-17/h1-2,13-14H,3-10H2
InChIKeyDFWOUSSTLCHQHL-UHFFFAOYSA-N
XLogP-0.70
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
CID 106758887
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 118025797
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943

Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperazin-1-yl)pyrimidine?
The IUPAC name of 2,4-di(piperazin-1-yl)pyrimidine (CID 6610945) is 2,4-di(piperazin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-di(piperazin-1-yl)pyrimidine?
The canonical SMILES for 2,4-di(piperazin-1-yl)pyrimidine is c1cc(N2CCNCC2)nc(N2CCNCC2)n1.
What is the InChIKey of 2,4-di(piperazin-1-yl)pyrimidine?
The InChIKey is DFWOUSSTLCHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-2-15-12(18-9-5-14-6-10-18)16-11(1)17-7-3-13-4-8-17/h1-2,13-14H,3-10H2.
What are the key properties of 2,4-di(piperazin-1-yl)pyrimidine?
2,4-di(piperazin-1-yl)pyrimidine has a molecular weight of 248.33 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperazin-1-yl)pyrimidine is sourced from PubChem (CID 6610945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).