bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone

C21H30N8O — CID 150598584

IUPACbis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1
InChIInChI=1S/C21H30N8O/c1-15-13-16(2)23-19(22-15)26-5-9-28(10-6-26)21(30)29-11-7-27(8-12-29)20-24-17(3)14-18(4)25-20/h13-14H,5-12H2,1-4H3
InChIKeyIRJSNKOSEPMRLL-UHFFFAOYSA-N
MW410.53 g/mol
LogP1.56
Rot. Bonds2

About bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone

bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 150598584) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID150598584
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Namebis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1
InChIInChI=1S/C21H30N8O/c1-15-13-16(2)23-19(22-15)26-5-9-28(10-6-26)21(30)29-11-7-27(8-12-29)20-24-17(3)14-18(4)25-20/h13-14H,5-12H2,1-4H3
InChIKeyIRJSNKOSEPMRLL-UHFFFAOYSA-N
XLogP1.56
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 150598584) is bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone is Cc1cc(C)nc(N2CCN(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1.
What is the InChIKey of bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is IRJSNKOSEPMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c1-15-13-16(2)23-19(22-15)26-5-9-28(10-6-26)21(30)29-11-7-27(8-12-29)20-24-17(3)14-18(4)25-20/h13-14H,5-12H2,1-4H3.
What are the key properties of bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone?
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 410.53 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 150598584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).