4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile

C9H12N4O2 — CID 19837173

IUPAC4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCn1c(N)c(C#N)c(=O)n(CC)c1=O
InChIInChI=1S/C9H12N4O2/c1-3-12-7(11)6(5-10)8(14)13(4-2)9(12)15/h3-4,11H2,1-2H3
InChIKeyVEENHRNQYNTPTF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.50
Rot. Bonds2

About 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile

4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 19837173) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID19837173
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCn1c(N)c(C#N)c(=O)n(CC)c1=O
InChIInChI=1S/C9H12N4O2/c1-3-12-7(11)6(5-10)8(14)13(4-2)9(12)15/h3-4,11H2,1-2H3
InChIKeyVEENHRNQYNTPTF-UHFFFAOYSA-N
XLogP-0.50
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 19837173) is 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile is CCn1c(N)c(C#N)c(=O)n(CC)c1=O.
What is the InChIKey of 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is VEENHRNQYNTPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-3-12-7(11)6(5-10)8(14)13(4-2)9(12)15/h3-4,11H2,1-2H3.
What are the key properties of 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-diethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 19837173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).