1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile

C17H19N7O4 — CID 3676738

IUPAC1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN(CCCn1cc(C#N)c(=O)[nH]c1=O)CCCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C17H19N7O4/c1-22(4-2-6-23-10-12(8-18)14(25)20-16(23)27)5-3-7-24-11-13(9-19)15(26)21-17(24)28/h10-11H,2-7H2,1H3,(H,20,25,27)(H,21,26,28)
InChIKeyKQTVQHNOTRPZLX-UHFFFAOYSA-N
MW385.38 g/mol
LogP-1.46
Rot. Bonds8

About 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile

1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 3676738) has the molecular formula C17H19N7O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID3676738
Molecular FormulaC17H19N7O4
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN(CCCn1cc(C#N)c(=O)[nH]c1=O)CCCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C17H19N7O4/c1-22(4-2-6-23-10-12(8-18)14(25)20-16(23)27)5-3-7-24-11-13(9-19)15(26)21-17(24)28/h10-11H,2-7H2,1H3,(H,20,25,27)(H,21,26,28)
InChIKeyKQTVQHNOTRPZLX-UHFFFAOYSA-N
XLogP-1.46
TPSA160.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-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

Related Compounds

1,1'-Trimethylenebis(thymine)
CID 89902
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
1-[3-[4-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl]piperazin-1-yl]propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 1815303
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165
1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 12261431
3-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
CID 9989821
5-methyl-1-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrimidine-2,4-dione
CID 54332666
3,6-Dihydro-5-methyl-2,6-dioxo-1(2H)-pyrimidinepropanenitrile
CID 91277717
1,5-Dimethylpyrimidine-2,4-dione;1-methyl-2,4-dioxopyrimidine-5-carbonitrile;1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 159073627
ThyPropAmide
CID 139042927
1-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 1815248
1-(2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 1815358

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 3676738) is 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile is CN(CCCn1cc(C#N)c(=O)[nH]c1=O)CCCn1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is KQTVQHNOTRPZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4/c1-22(4-2-6-23-10-12(8-18)14(25)20-16(23)27)5-3-7-24-11-13(9-19)15(26)21-17(24)28/h10-11H,2-7H2,1H3,(H,20,25,27)(H,21,26,28).
What are the key properties of 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 385.38 g/mol, XLogP of -1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 3676738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).