1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C18H24N8O — CID 17148603

IUPAC1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N8O/c27-16(24-11-13-26(14-12-24)18-21-5-2-6-22-18)15-23-7-9-25(10-8-23)17-19-3-1-4-20-17/h1-6H,7-15H2
InChIKeyUUYPSUXHXLSGEU-UHFFFAOYSA-N
MW368.44 g/mol
LogP-0.26
Rot. Bonds4

About 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 17148603) has the molecular formula C18H24N8O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID17148603
Molecular FormulaC18H24N8O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N8O/c27-16(24-11-13-26(14-12-24)18-21-5-2-6-22-18)15-23-7-9-25(10-8-23)17-19-3-1-4-20-17/h1-6H,7-15H2
InChIKeyUUYPSUXHXLSGEU-UHFFFAOYSA-N
XLogP-0.26
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 26570212
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 17148603) is 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UUYPSUXHXLSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c27-16(24-11-13-26(14-12-24)18-21-5-2-6-22-18)15-23-7-9-25(10-8-23)17-19-3-1-4-20-17/h1-6H,7-15H2.
What are the key properties of 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 368.44 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 17148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).