1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile

C17H24N6O4 — CID 24587742

IUPAC1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN(CC(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N6O4/c1-19-15(13(11-18)16(25)20(2)17(19)26)23-5-3-21(4-6-23)12-14(24)22-7-9-27-10-8-22/h3-10,12H2,1-2H3
InChIKeyXDKSYPPUXYEKDH-UHFFFAOYSA-N
MW376.42 g/mol
LogP-2.06
Rot. Bonds3

About 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 24587742) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID24587742
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN(CC(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N6O4/c1-19-15(13(11-18)16(25)20(2)17(19)26)23-5-3-21(4-6-23)12-14(24)22-7-9-27-10-8-22/h3-10,12H2,1-2H3
InChIKeyXDKSYPPUXYEKDH-UHFFFAOYSA-N
XLogP-2.06
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (CID 24587742) is 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N2CCN(CC(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is XDKSYPPUXYEKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-19-15(13(11-18)16(25)20(2)17(19)26)23-5-3-21(4-6-23)12-14(24)22-7-9-27-10-8-22/h3-10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24587742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).