ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane

C22H37N7 — CID 171069989

IUPACethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
SMILESCC.CCC.c1ccc(N2CCN(c3cc(N4CCNCC4)ncn3)CC2)nc1
InChIInChI=1S/C17H23N7.C3H8.C2H6/c1-2-4-19-15(3-1)23-9-11-24(12-10-23)17-13-16(20-14-21-17)22-7-5-18-6-8-22;1-3-2;1-2/h1-4,13-14,18H,5-12H2;3H2,1-2H3;1-2H3
InChIKeyODSGKRVSPTZHFL-UHFFFAOYSA-N
MW399.59 g/mol
LogP3.05
Rot. Bonds3

About ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane

ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane (PubChem CID 171069989) has the molecular formula C22H37N7 and a molecular weight of 399.59 g/mol. Its IUPAC name is ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane.

Molecular Properties

Compound Nameethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
PubChem CID171069989
Molecular FormulaC22H37N7
Molecular Weight399.59 g/mol
Exact Mass399.31
IUPAC Nameethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
SMILESCC.CCC.c1ccc(N2CCN(c3cc(N4CCNCC4)ncn3)CC2)nc1
InChIInChI=1S/C17H23N7.C3H8.C2H6/c1-2-4-19-15(3-1)23-9-11-24(12-10-23)17-13-16(20-14-21-17)22-7-5-18-6-8-22;1-3-2;1-2/h1-4,13-14,18H,5-12H2;3H2,1-2H3;1-2H3
InChIKeyODSGKRVSPTZHFL-UHFFFAOYSA-N
XLogP3.05
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
ethane;1-(4-ethenyl-2-pyridinyl)piperazine
CID 142364779
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine
CID 159041794
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079300
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686

Frequently Asked Questions

What is the IUPAC name of ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane?
The IUPAC name of ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane (CID 171069989) is ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane.
What is the SMILES notation for ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane?
The canonical SMILES for ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane is CC.CCC.c1ccc(N2CCN(c3cc(N4CCNCC4)ncn3)CC2)nc1.
What is the InChIKey of ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane?
The InChIKey is ODSGKRVSPTZHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7.C3H8.C2H6/c1-2-4-19-15(3-1)23-9-11-24(12-10-23)17-13-16(20-14-21-17)22-7-5-18-6-8-22;1-3-2;1-2/h1-4,13-14,18H,5-12H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane?
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane has a molecular weight of 399.59 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane is sourced from PubChem (CID 171069989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).