2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one

C8H12ClN3O2 — CID 23525153

IUPAC2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(Cl)cc1=O
InChIInChI=1S/C8H12ClN3O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyFBSLWJHETRVBFG-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one

2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one (PubChem CID 23525153) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
PubChem CID23525153
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(Cl)cc1=O
InChIInChI=1S/C8H12ClN3O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyFBSLWJHETRVBFG-UHFFFAOYSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholin-4-yl-6-oxopyrimidine-1-carboxamide
CID 123522893
6-Chloro-2-(4-morpholinyl)-4-pyrimidinol
CID 135502877
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 23525149
2-Amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525151
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
2,6-Diamino-3-[2-[di(propan-2-yl)phosphanylmethoxy]ethyl]pyrimidin-4-one
CID 69765043
2-Amino-6-chloro-3-[2-[di(propan-2-yl)phosphanylmethoxy]ethyl]pyrimidin-4-one
CID 69766066
2-Amino-6-(dimethylamino)-3-[2-[di(propan-2-yl)phosphanylmethoxy]ethyl]pyrimidin-4-one
CID 69766285
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
2-Amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one
CID 135730321

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one (CID 23525153) is 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one is CCOCCn1c(N)nc(Cl)cc1=O.
What is the InChIKey of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one?
The InChIKey is FBSLWJHETRVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one?
2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one has a molecular weight of 217.66 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 23525153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).