6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione

C8H10ClN3O3 — CID 4962458

IUPAC6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O
InChIInChI=1S/C8H10ClN3O3/c1-2-12-6(10)5(4(13)3-9)7(14)11-8(12)15/h2-3,10H2,1H3,(H,11,14,15)
InChIKeyXVUGGWIEWONRKX-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.44
Rot. Bonds3

About 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione

6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione (PubChem CID 4962458) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
PubChem CID4962458
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O
InChIInChI=1S/C8H10ClN3O3/c1-2-12-6(10)5(4(13)3-9)7(14)11-8(12)15/h2-3,10H2,1H3,(H,11,14,15)
InChIKeyXVUGGWIEWONRKX-UHFFFAOYSA-N
XLogP-0.44
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
CID 94458615
6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
CID 110931812
5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
CID 151232470
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841465
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 114952196
4-amino-3-ethyl-5-(trifluoromethyl)-1H-imidazol-2-one
CID 82400681
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 4-bromobenzoate
CID 7783540
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725732

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione (CID 4962458) is 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione?
The InChIKey is XVUGGWIEWONRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-2-12-6(10)5(4(13)3-9)7(14)11-8(12)15/h2-3,10H2,1H3,(H,11,14,15).
What are the key properties of 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione?
6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione has a molecular weight of 231.64 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 4962458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).