1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one

C18H28N6O2 — CID 133492404

IUPAC1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N3CCN(C4CCOCC4)CC3)ncn2)CC1=O
InChIInChI=1S/C18H28N6O2/c1-21-4-5-24(13-18(21)25)17-12-16(19-14-20-17)23-8-6-22(7-9-23)15-2-10-26-11-3-15/h12,14-15H,2-11,13H2,1H3
InChIKeyCKXYWOXZBKTZGH-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.06
Rot. Bonds3

About 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 133492404) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
PubChem CID133492404
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N3CCN(C4CCOCC4)CC3)ncn2)CC1=O
InChIInChI=1S/C18H28N6O2/c1-21-4-5-24(13-18(21)25)17-12-16(19-14-20-17)23-8-6-22(7-9-23)15-2-10-26-11-3-15/h12,14-15H,2-11,13H2,1H3
InChIKeyCKXYWOXZBKTZGH-UHFFFAOYSA-N
XLogP0.06
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one (CID 133492404) is 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one is CN1CCN(c2cc(N3CCN(C4CCOCC4)CC3)ncn2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is CKXYWOXZBKTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-21-4-5-24(13-18(21)25)17-12-16(19-14-20-17)23-8-6-22(7-9-23)15-2-10-26-11-3-15/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 360.46 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133492404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).