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

C16H22N6O4 — CID 24590626

IUPAC1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN(C(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N6O4/c1-18-13(12(11-17)14(23)19(2)15(18)24)20-3-5-21(6-4-20)16(25)22-7-9-26-10-8-22/h3-10H2,1-2H3
InChIKeyOAXSEEDANRWGGC-UHFFFAOYSA-N
MW362.39 g/mol
LogP-1.47
Rot. Bonds1

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

1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 24590626) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID24590626
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN(C(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N6O4/c1-18-13(12(11-17)14(23)19(2)15(18)24)20-3-5-21(6-4-20)16(25)22-7-9-26-10-8-22/h3-10H2,1-2H3
InChIKeyOAXSEEDANRWGGC-UHFFFAOYSA-N
XLogP-1.47
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (CID 24590626) is 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is OAXSEEDANRWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-18-13(12(11-17)14(23)19(2)15(18)24)20-3-5-21(6-4-20)16(25)22-7-9-26-10-8-22/h3-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of -1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24590626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).