3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile

C9H10N4O3 — CID 2363689

IUPAC3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile
SMILESCn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-7(11)6(5(14)3-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3
InChIKeyPTUIMZOFGDTLCJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.24
Rot. Bonds2

About 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile

3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile (PubChem CID 2363689) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile
PubChem CID2363689
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile
SMILESCn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-7(11)6(5(14)3-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3
InChIKeyPTUIMZOFGDTLCJ-UHFFFAOYSA-N
XLogP-1.24
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile 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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360817
trans-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2400830
6-amino-5-[2-(3,5-dimethylphenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42887461
6-amino-1,3-dimethyl-5-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]pyrimidine-2,4-dione
CID 94112378
6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 75391776
ethyl 1-[5-(2-cyanoacetyl)-1,3-dimethyl-2,6-dioxopyrimidin-4-yl]piperidine-2-carboxylate
CID 134832737
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 2469228
6-amino-1,3-dimethyl-5-[2-(2,4,5-trichlorophenoxy)acetyl]pyrimidine-2,4-dione
CID 2571125
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 3302101
6-amino-5-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4814732
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 35775193
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-iodobenzoate
CID 2476680

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile (CID 2363689) is 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile is Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O.
What is the InChIKey of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile?
The InChIKey is PTUIMZOFGDTLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-7(11)6(5(14)3-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3.
What are the key properties of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile?
3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile has a molecular weight of 222.20 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile is sourced from PubChem (CID 2363689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).