1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione

C8H12N3O7P — CID 68859928

IUPAC1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione
SMILESCc1cn(OP(N)(=O)OC2OCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N3O7P/c1-5-4-11(7(13)10-6(5)12)18-19(9,14)17-8-15-2-3-16-8/h4,8H,2-3H2,1H3,(H2,9,14)(H,10,12,13)
InChIKeyLYTPNCWLAVIRPN-UHFFFAOYSA-N
MW293.17 g/mol
LogP-1.31
Rot. Bonds4

About 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione

1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione (PubChem CID 68859928) has the molecular formula C8H12N3O7P and a molecular weight of 293.17 g/mol. Its IUPAC name is 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione
PubChem CID68859928
Molecular FormulaC8H12N3O7P
Molecular Weight293.17 g/mol
Exact Mass293.04
IUPAC Name1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione
SMILESCc1cn(OP(N)(=O)OC2OCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N3O7P/c1-5-4-11(7(13)10-6(5)12)18-19(9,14)17-8-15-2-3-16-8/h4,8H,2-3H2,1H3,(H2,9,14)(H,10,12,13)
InChIKeyLYTPNCWLAVIRPN-UHFFFAOYSA-N
XLogP-1.31
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 102041523
(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
CID 142715788
diethyl 2-[(2R,3S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]propanedioate
CID 10784307
1-[(Z)-3-[hydroxymethyl(dimethyl)silyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 15405094
1-[4-diethoxyphosphoryl-2-(oxan-2-yloxymethyl)but-3-enoxy]-5-methylpyrimidine-2,4-dione
CID 54387676
[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 46936617
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
CID 18531019
CID 18531019

Frequently Asked Questions

What is the IUPAC name of 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione (CID 68859928) is 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione is Cc1cn(OP(N)(=O)OC2OCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione?
The InChIKey is LYTPNCWLAVIRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O7P/c1-5-4-11(7(13)10-6(5)12)18-19(9,14)17-8-15-2-3-16-8/h4,8H,2-3H2,1H3,(H2,9,14)(H,10,12,13).
What are the key properties of 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione?
1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione has a molecular weight of 293.17 g/mol, XLogP of -1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(1,3-dioxolan-2-yloxy)phosphoryl]oxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 68859928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).