2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine

C48H85N15O30P4 — CID 159744516

IUPAC2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine
SMILESCCOCCOc1cc(=O)n(CCOCC)c(N)n1.CCOCCOc1cc(OCCOCC)nc(N)n1.Nc1nc(O)cc(=O)[nH]1.Nc1nc(OCCOCP(=O)(O)O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(OCCOCP(=O)(O)O)n1
InChIInChI=1S/2C12H21N3O4.2C10H19N3O10P2.C4H5N3O2/c1-3-16-5-7-18-10-9-11(15-12(13)14-10)19-8-6-17-4-2;1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2;11-10-12-8(22-3-1-20-6-24(14,15)16)5-9(13-10)23-4-2-21-7-25(17,18)19;11-10-12-8(23-4-3-22-7-25(18,19)20)5-9(14)13(10)1-2-21-6-24(15,16)17;5-4-6-2(8)1-3(9)7-4/h9H,3-8H2,1-2H3,(H2,13,14,15);9H,3-8H2,1-2H3,(H2,13,14);5H,1-4,6-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19);5H,1-4,6-7H2,(H2,11,12)(H2,15,16,17)(H2,18,19,20);1H,(H4,5,6,7,8,9)
InChIKeyNCWKBBKIOOMXHM-UHFFFAOYSA-N
MW1476.18 g/mol
LogP-2.15
Rot. Bonds42

About 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine

2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine (PubChem CID 159744516) has the molecular formula C48H85N15O30P4 and a molecular weight of 1476.18 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine
PubChem CID159744516
Molecular FormulaC48H85N15O30P4
Molecular Weight1476.18 g/mol
Exact Mass1475.45
IUPAC Name2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine
SMILESCCOCCOc1cc(=O)n(CCOCC)c(N)n1.CCOCCOc1cc(OCCOCC)nc(N)n1.Nc1nc(O)cc(=O)[nH]1.Nc1nc(OCCOCP(=O)(O)O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(OCCOCP(=O)(O)O)n1
InChIInChI=1S/2C12H21N3O4.2C10H19N3O10P2.C4H5N3O2/c1-3-16-5-7-18-10-9-11(15-12(13)14-10)19-8-6-17-4-2;1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2;11-10-12-8(22-3-1-20-6-24(14,15)16)5-9(13-10)23-4-2-21-7-25(17,18)19;11-10-12-8(23-4-3-22-7-25(18,19)20)5-9(14)13(10)1-2-21-6-24(15,16)17;5-4-6-2(8)1-3(9)7-4/h9H,3-8H2,1-2H3,(H2,13,14,15);9H,3-8H2,1-2H3,(H2,13,14);5H,1-4,6-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19);5H,1-4,6-7H2,(H2,11,12)(H2,15,16,17)(H2,18,19,20);1H,(H4,5,6,7,8,9)
InChIKeyNCWKBBKIOOMXHM-UHFFFAOYSA-N
XLogP-2.15
TPSA676.76 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine?
The IUPAC name of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine (CID 159744516) is 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine.
What is the SMILES notation for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine?
The canonical SMILES for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine is CCOCCOc1cc(=O)n(CCOCC)c(N)n1.CCOCCOc1cc(OCCOCC)nc(N)n1.Nc1nc(O)cc(=O)[nH]1.Nc1nc(OCCOCP(=O)(O)O)cc(=O)n1CCOCP(=O)(O)O.Nc1nc(OCCOCP(=O)(O)O)cc(OCCOCP(=O)(O)O)n1.
What is the InChIKey of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine?
The InChIKey is NCWKBBKIOOMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21N3O4.2C10H19N3O10P2.C4H5N3O2/c1-3-16-5-7-18-10-9-11(15-12(13)14-10)19-8-6-17-4-2;1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2;11-10-12-8(22-3-1-20-6-24(14,15)16)5-9(13-10)23-4-2-21-7-25(17,18)19;11-10-12-8(23-4-3-22-7-25(18,19)20)5-9(14)13(10)1-2-21-6-24(15,16)17;5-4-6-2(8)1-3(9)7-4/h9H,3-8H2,1-2H3,(H2,13,14,15);9H,3-8H2,1-2H3,(H2,13,14);5H,1-4,6-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19);5H,1-4,6-7H2,(H2,11,12)(H2,15,16,17)(H2,18,19,20);1H,(H4,5,6,7,8,9).
What are the key properties of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine?
2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine has a molecular weight of 1476.18 g/mol, XLogP of -2.15, 42 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine is sourced from PubChem (CID 159744516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).