2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine

C50H78Cl3N21O23P2 — CID 158136916

IUPAC2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine
SMILESCCOCCOc1cc(=O)[nH]c(N)n1.CCOCCOc1cc(Cl)nc(N)n1.CCOCCn1c(N)nc(Cl)cc1=O.CCOCCn1c(N)nc(O)cc1=O.Nc1nc(Cl)cc(=O)[nH]1.Nc1nc(O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(=O)[nH]1
InChIInChI=1S/2C8H12ClN3O2.2C8H13N3O3.2C7H12N3O6P.C4H4ClN3O/c1-2-13-3-4-14-7-5-6(9)11-8(10)12-7;1-2-14-4-3-12-7(13)5-6(9)11-8(12)10;1-2-13-3-4-14-7-5-6(12)10-8(9)11-7;1-2-14-4-3-11-7(13)5-6(12)10-8(11)9;8-7-9-5(11)3-6(10-7)16-2-1-15-4-17(12,13)14;8-7-9-5(11)3-6(12)10(7)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H2,10,11,12);5H,2-4H2,1H3,(H2,10,11);5H,2-4H2,1H3,(H3,9,10,11,12);5,12H,2-4H2,1H3,(H2,9,10);3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11);3,11H,1-2,4H2,(H2,8,9)(H2,13,14,15);1H,(H3,6,7,8,9)
InChIKeyFTLLFZDVOCYICD-UHFFFAOYSA-N
MW1509.60 g/mol
LogP-1.45
Rot. Bonds29

About 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine

2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine (PubChem CID 158136916) has the molecular formula C50H78Cl3N21O23P2 and a molecular weight of 1509.60 g/mol. Its IUPAC name is 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine
PubChem CID158136916
Molecular FormulaC50H78Cl3N21O23P2
Molecular Weight1509.60 g/mol
Exact Mass1507.41
IUPAC Name2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine
SMILESCCOCCOc1cc(=O)[nH]c(N)n1.CCOCCOc1cc(Cl)nc(N)n1.CCOCCn1c(N)nc(Cl)cc1=O.CCOCCn1c(N)nc(O)cc1=O.Nc1nc(Cl)cc(=O)[nH]1.Nc1nc(O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(=O)[nH]1
InChIInChI=1S/2C8H12ClN3O2.2C8H13N3O3.2C7H12N3O6P.C4H4ClN3O/c1-2-13-3-4-14-7-5-6(9)11-8(10)12-7;1-2-14-4-3-12-7(13)5-6(9)11-8(12)10;1-2-13-3-4-14-7-5-6(12)10-8(9)11-7;1-2-14-4-3-11-7(13)5-6(12)10-8(11)9;8-7-9-5(11)3-6(10-7)16-2-1-15-4-17(12,13)14;8-7-9-5(11)3-6(12)10(7)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H2,10,11,12);5H,2-4H2,1H3,(H2,10,11);5H,2-4H2,1H3,(H3,9,10,11,12);5,12H,2-4H2,1H3,(H2,9,10);3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11);3,11H,1-2,4H2,(H2,8,9)(H2,13,14,15);1H,(H3,6,7,8,9)
InChIKeyFTLLFZDVOCYICD-UHFFFAOYSA-N
XLogP-1.45
TPSA688.43 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.60
LogP ≤ 5-1.45
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine?
The IUPAC name of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine (CID 158136916) is 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine.
What is the SMILES notation for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine?
The canonical SMILES for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine is CCOCCOc1cc(=O)[nH]c(N)n1.CCOCCOc1cc(Cl)nc(N)n1.CCOCCn1c(N)nc(Cl)cc1=O.CCOCCn1c(N)nc(O)cc1=O.Nc1nc(Cl)cc(=O)[nH]1.Nc1nc(O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(=O)[nH]1.
What is the InChIKey of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine?
The InChIKey is FTLLFZDVOCYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12ClN3O2.2C8H13N3O3.2C7H12N3O6P.C4H4ClN3O/c1-2-13-3-4-14-7-5-6(9)11-8(10)12-7;1-2-14-4-3-12-7(13)5-6(9)11-8(12)10;1-2-13-3-4-14-7-5-6(12)10-8(9)11-7;1-2-14-4-3-11-7(13)5-6(12)10-8(11)9;8-7-9-5(11)3-6(10-7)16-2-1-15-4-17(12,13)14;8-7-9-5(11)3-6(12)10(7)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H2,10,11,12);5H,2-4H2,1H3,(H2,10,11);5H,2-4H2,1H3,(H3,9,10,11,12);5,12H,2-4H2,1H3,(H2,9,10);3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11);3,11H,1-2,4H2,(H2,8,9)(H2,13,14,15);1H,(H3,6,7,8,9).
What are the key properties of 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine?
2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine has a molecular weight of 1509.60 g/mol, XLogP of -1.45, 29 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine is sourced from PubChem (CID 158136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).