2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile

C9H10ClN3O2 — CID 15027543

IUPAC2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile
SMILESCCCn1c(=O)cc(Cl)n(CC#N)c1=O
InChIInChI=1S/C9H10ClN3O2/c1-2-4-13-8(14)6-7(10)12(5-3-11)9(13)15/h6H,2,4-5H2,1H3
InChIKeyURZBIAGNVZCLGX-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.60
Rot. Bonds3

About 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile

2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile (PubChem CID 15027543) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile
PubChem CID15027543
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile
SMILESCCCn1c(=O)cc(Cl)n(CC#N)c1=O
InChIInChI=1S/C9H10ClN3O2/c1-2-4-13-8(14)6-7(10)12(5-3-11)9(13)15/h6H,2,4-5H2,1H3
InChIKeyURZBIAGNVZCLGX-UHFFFAOYSA-N
XLogP0.60
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile 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

6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
CID 816934
1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione
CID 23326877
6-chloro-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
CID 66697715
1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14986830
2-(3,8-dimethyl-2,6-dioxo-7-propylpurin-1-yl)acetonitrile
CID 51058625
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14100176
3,6-dimethyl-1-propylpyrimidine-2,4-dione
CID 91622846
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetonitrile
CID 79367231
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
3-[3-(2-carboxyethyl)-2,4,6-trioxo-5-propyl-1,3,5-triazinan-1-yl]propanoic acid
CID 59141687

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile?
The IUPAC name of 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile (CID 15027543) is 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile?
The canonical SMILES for 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile is CCCn1c(=O)cc(Cl)n(CC#N)c1=O.
What is the InChIKey of 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile?
The InChIKey is URZBIAGNVZCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-2-4-13-8(14)6-7(10)12(5-3-11)9(13)15/h6H,2,4-5H2,1H3.
What are the key properties of 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile?
2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile has a molecular weight of 227.65 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,4-dioxo-3-propylpyrimidin-1-yl)acetonitrile is sourced from PubChem (CID 15027543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).