1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile

C13H20N4O2 — CID 79874444

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCC(C)CC(CN(C)C)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)5-11(8-16(3)4)17-7-10(6-14)12(18)15-13(17)19/h7,9,11H,5,8H2,1-4H3,(H,15,18,19)
InChIKeySUFGPNVHSDECSB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.56
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile

1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79874444) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79874444
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCC(C)CC(CN(C)C)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)5-11(8-16(3)4)17-7-10(6-14)12(18)15-13(17)19/h7,9,11H,5,8H2,1-4H3,(H,15,18,19)
InChIKeySUFGPNVHSDECSB-UHFFFAOYSA-N
XLogP0.56
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile (CID 79874444) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile is CC(C)CC(CN(C)C)n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is SUFGPNVHSDECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)5-11(8-16(3)4)17-7-10(6-14)12(18)15-13(17)19/h7,9,11H,5,8H2,1-4H3,(H,15,18,19).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79874444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).