4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H22N4O2 — CID 51531797

IUPAC4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C15H22N4O2/c1-4-19(11-8-6-5-7-9-11)13-12(10-16)14(20)18(3)15(21)17(13)2/h11H,4-9H2,1-3H3
InChIKeyABUZUFWGSBWUBK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.11
Rot. Bonds3

About 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 51531797) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID51531797
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C15H22N4O2/c1-4-19(11-8-6-5-7-9-11)13-12(10-16)14(20)18(3)15(21)17(13)2/h11H,4-9H2,1-3H3
InChIKeyABUZUFWGSBWUBK-UHFFFAOYSA-N
XLogP1.11
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 51531797) is 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ABUZUFWGSBWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-19(11-8-6-5-7-9-11)13-12(10-16)14(20)18(3)15(21)17(13)2/h11H,4-9H2,1-3H3.
What are the key properties of 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 51531797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).