2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

C26H35F2N4O6P — CID 144900688

IUPAC2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
SMILESCOC(C)C.FCF.Nc1ccn(C2CCC(COP(NCC=O)Oc3cccc4ccccc34)O2)c(=O)n1
InChIInChI=1S/C21H23N4O5P.C4H10O.CH2F2/c22-19-10-12-25(21(27)24-19)20-9-8-16(29-20)14-28-31(23-11-13-26)30-18-7-3-5-15-4-1-2-6-17(15)18;1-4(2)5-3;2-1-3/h1-7,10,12-13,16,20,23H,8-9,11,14H2,(H2,22,24,27);4H,1-3H3;1H2
InChIKeyNIUWXQBWYKXJDK-UHFFFAOYSA-N
MW568.56 g/mol
LogP4.69
Rot. Bonds10

About 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (PubChem CID 144900688) has the molecular formula C26H35F2N4O6P and a molecular weight of 568.56 g/mol. Its IUPAC name is 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.

Molecular Properties

Compound Name2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
PubChem CID144900688
Molecular FormulaC26H35F2N4O6P
Molecular Weight568.56 g/mol
Exact Mass568.23
IUPAC Name2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
SMILESCOC(C)C.FCF.Nc1ccn(C2CCC(COP(NCC=O)Oc3cccc4ccccc34)O2)c(=O)n1
InChIInChI=1S/C21H23N4O5P.C4H10O.CH2F2/c22-19-10-12-25(21(27)24-19)20-9-8-16(29-20)14-28-31(23-11-13-26)30-18-7-3-5-15-4-1-2-6-17(15)18;1-4(2)5-3;2-1-3/h1-7,10,12-13,16,20,23H,8-9,11,14H2,(H2,22,24,27);4H,1-3H3;1H2
InChIKeyNIUWXQBWYKXJDK-UHFFFAOYSA-N
XLogP4.69
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane with MolForge

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Related Compounds

2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900318
2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900390
methyl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]-3-methylbutanoate;propane-2,2-diol
CID 145155283
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
2-[[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900674
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphanyl]amino]propanoate
CID 144948929
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144900507
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?
The IUPAC name of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (CID 144900688) is 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.
What is the SMILES notation for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?
The canonical SMILES for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is COC(C)C.FCF.Nc1ccn(C2CCC(COP(NCC=O)Oc3cccc4ccccc34)O2)c(=O)n1.
What is the InChIKey of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?
The InChIKey is NIUWXQBWYKXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N4O5P.C4H10O.CH2F2/c22-19-10-12-25(21(27)24-19)20-9-8-16(29-20)14-28-31(23-11-13-26)30-18-7-3-5-15-4-1-2-6-17(15)18;1-4(2)5-3;2-1-3/h1-7,10,12-13,16,20,23H,8-9,11,14H2,(H2,22,24,27);4H,1-3H3;1H2.
What are the key properties of 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?
2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane has a molecular weight of 568.56 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is sourced from PubChem (CID 144900688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).