2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine

C34H60N20O15P2 — CID 157089992

IUPAC2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine
SMILESCCOCCOc1cc(N)nc(N)n1.CCOCCn1c(N)nc(N)cc1=O.Nc1cc(=O)[nH]c(N)n1.Nc1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.Nc1cc(OCCOCP(=O)(O)O)nc(N)n1
InChIInChI=1S/2C8H14N4O2.2C7H13N4O5P.C4H6N4O/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;8-5-3-6(11-7(9)10-5)16-2-1-15-4-17(12,13)14;8-5-3-6(12)11(7(9)10-5)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H4,9,10,11,12);5H,2-4,9H2,1H3,(H2,10,11);3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11);3H,1-2,4,8H2,(H2,9,10)(H2,13,14,15);1H,(H5,5,6,7,8,9)
InChIKeyAENZPYMCRQXANK-UHFFFAOYSA-N
MW1050.93 g/mol
LogP-3.83
Rot. Bonds20

About 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine

2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine (PubChem CID 157089992) has the molecular formula C34H60N20O15P2 and a molecular weight of 1050.93 g/mol. Its IUPAC name is 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine
PubChem CID157089992
Molecular FormulaC34H60N20O15P2
Molecular Weight1050.93 g/mol
Exact Mass1050.40
IUPAC Name2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine
SMILESCCOCCOc1cc(N)nc(N)n1.CCOCCn1c(N)nc(N)cc1=O.Nc1cc(=O)[nH]c(N)n1.Nc1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.Nc1cc(OCCOCP(=O)(O)O)nc(N)n1
InChIInChI=1S/2C8H14N4O2.2C7H13N4O5P.C4H6N4O/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;8-5-3-6(11-7(9)10-5)16-2-1-15-4-17(12,13)14;8-5-3-6(12)11(7(9)10-5)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H4,9,10,11,12);5H,2-4,9H2,1H3,(H2,10,11);3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11);3H,1-2,4,8H2,(H2,9,10)(H2,13,14,15);1H,(H5,5,6,7,8,9)
InChIKeyAENZPYMCRQXANK-UHFFFAOYSA-N
XLogP-3.83
TPSA597.73 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.93
LogP ≤ 5-3.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine (CID 157089992) is 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine is CCOCCOc1cc(N)nc(N)n1.CCOCCn1c(N)nc(N)cc1=O.Nc1cc(=O)[nH]c(N)n1.Nc1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.Nc1cc(OCCOCP(=O)(O)O)nc(N)n1.
What is the InChIKey of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine?
The InChIKey is AENZPYMCRQXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N4O2.2C7H13N4O5P.C4H6N4O/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;8-5-3-6(11-7(9)10-5)16-2-1-15-4-17(12,13)14;8-5-3-6(12)11(7(9)10-5)1-2-16-4-17(13,14)15;5-2-1-3(9)8-4(6)7-2/h5H,2-4H2,1H3,(H4,9,10,11,12);5H,2-4,9H2,1H3,(H2,10,11);3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11);3H,1-2,4,8H2,(H2,9,10)(H2,13,14,15);1H,(H5,5,6,7,8,9).
What are the key properties of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine?
2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine has a molecular weight of 1050.93 g/mol, XLogP of -3.83, 20 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one;2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2,4-diamino-1H-pyrimidin-6-one;2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 157089992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).