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

C14H20N4O2 — CID 17414828

IUPAC4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C14H20N4O2/c1-16(10-7-5-4-6-8-10)12-11(9-15)13(19)18(3)14(20)17(12)2/h10H,4-8H2,1-3H3
InChIKeyWMRXNSSLXSNOGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.72
Rot. Bonds2

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

4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17414828) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17414828
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1
InChIInChI=1S/C14H20N4O2/c1-16(10-7-5-4-6-8-10)12-11(9-15)13(19)18(3)14(20)17(12)2/h10H,4-8H2,1-3H3
InChIKeyWMRXNSSLXSNOGQ-UHFFFAOYSA-N
XLogP0.72
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 17414828) is 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is WMRXNSSLXSNOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16(10-7-5-4-6-8-10)12-11(9-15)13(19)18(3)14(20)17(12)2/h10H,4-8H2,1-3H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17414828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).