2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid

C10H18N3O7P — CID 90410011

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid
SMILESNc1ccn(CCOCP(=O)(O)OCC(O)CO)c(=O)n1
InChIInChI=1S/C10H18N3O7P/c11-9-1-2-13(10(16)12-9)3-4-19-7-21(17,18)20-6-8(15)5-14/h1-2,8,14-15H,3-7H2,(H,17,18)(H2,11,12,16)
InChIKeyOJYASKXQAOZZQL-UHFFFAOYSA-N
MW323.24 g/mol
LogP-1.65
Rot. Bonds9

About 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid

2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid (PubChem CID 90410011) has the molecular formula C10H18N3O7P and a molecular weight of 323.24 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid
PubChem CID90410011
Molecular FormulaC10H18N3O7P
Molecular Weight323.24 g/mol
Exact Mass323.09
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid
SMILESNc1ccn(CCOCP(=O)(O)OCC(O)CO)c(=O)n1
InChIInChI=1S/C10H18N3O7P/c11-9-1-2-13(10(16)12-9)3-4-19-7-21(17,18)20-6-8(15)5-14/h1-2,8,14-15H,3-7H2,(H,17,18)(H2,11,12,16)
InChIKeyOJYASKXQAOZZQL-UHFFFAOYSA-N
XLogP-1.65
TPSA157.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[2-(1-diethoxyphosphoryl-2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 10640513
[4-(4-amino-2-oxopyrimidin-1-yl)-2-methoxybutyl] dihydrogen phosphate
CID 137398895
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2R)-2-butoxy-3-methoxypropoxy]phosphinic acid
CID 88562073
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
CID 5272922
4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one
CID 134309613
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexoxypropoxy)phosphinic acid
CID 144858397
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinic acid
CID 74332149
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;phosphoric acid
CID 174487238
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-butoxyphosphinic acid;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
CID 165066292
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid
CID 11578443
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxy-2-phenylmethoxypropoxy)phosphinic acid
CID 11319842

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid (CID 90410011) is 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid is Nc1ccn(CCOCP(=O)(O)OCC(O)CO)c(=O)n1.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid?
The InChIKey is OJYASKXQAOZZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O7P/c11-9-1-2-13(10(16)12-9)3-4-19-7-21(17,18)20-6-8(15)5-14/h1-2,8,14-15H,3-7H2,(H,17,18)(H2,11,12,16).
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid?
2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid has a molecular weight of 323.24 g/mol, XLogP of -1.65, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid is sourced from PubChem (CID 90410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).