4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one

C15H20N5O4P — CID 145155260

IUPAC4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one
SMILESCNP(OCC1CCC(n2cnc(N)nc2=O)O1)Oc1ccccc1
InChIInChI=1S/C15H20N5O4P/c1-17-25(24-11-5-3-2-4-6-11)22-9-12-7-8-13(23-12)20-10-18-14(16)19-15(20)21/h2-6,10,12-13,17H,7-9H2,1H3,(H2,16,19,21)
InChIKeyNRRQBMIYELEGOC-UHFFFAOYSA-N
MW365.33 g/mol
LogP1.44
Rot. Bonds7

About 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one

4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 145155260) has the molecular formula C15H20N5O4P and a molecular weight of 365.33 g/mol. Its IUPAC name is 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID145155260
Molecular FormulaC15H20N5O4P
Molecular Weight365.33 g/mol
Exact Mass365.13
IUPAC Name4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one
SMILESCNP(OCC1CCC(n2cnc(N)nc2=O)O1)Oc1ccccc1
InChIInChI=1S/C15H20N5O4P/c1-17-25(24-11-5-3-2-4-6-11)22-9-12-7-8-13(23-12)20-10-18-14(16)19-15(20)21/h2-6,10,12-13,17H,7-9H2,1H3,(H2,16,19,21)
InChIKeyNRRQBMIYELEGOC-UHFFFAOYSA-N
XLogP1.44
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one (CID 145155260) is 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one is CNP(OCC1CCC(n2cnc(N)nc2=O)O1)Oc1ccccc1.
What is the InChIKey of 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is NRRQBMIYELEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N5O4P/c1-17-25(24-11-5-3-2-4-6-11)22-9-12-7-8-13(23-12)20-10-18-14(16)19-15(20)21/h2-6,10,12-13,17H,7-9H2,1H3,(H2,16,19,21).
What are the key properties of 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 365.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 145155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).