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

C14H21N5O3 — CID 18133118

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCOCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H21N5O3/c1-16-12(11(10-15)13(20)17(2)14(16)21)19-6-4-18(5-7-19)8-9-22-3/h4-9H2,1-3H3
InChIKeyUTGHNUBBBQVOKF-UHFFFAOYSA-N
MW307.35 g/mol
LogP-1.28
Rot. Bonds4

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

4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 18133118) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID18133118
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCOCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H21N5O3/c1-16-12(11(10-15)13(20)17(2)14(16)21)19-6-4-18(5-7-19)8-9-22-3/h4-9H2,1-3H3
InChIKeyUTGHNUBBBQVOKF-UHFFFAOYSA-N
XLogP-1.28
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 18133118) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is COCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is UTGHNUBBBQVOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-16-12(11(10-15)13(20)17(2)14(16)21)19-6-4-18(5-7-19)8-9-22-3/h4-9H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of -1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18133118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).