hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium

C17H14N4O5P+ — CID 118218438

IUPAChydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium
SMILESO=C(NC(O[P+](=O)O)c1ccccc1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H13N4O5P/c22-15-12(10-19-14(20-15)13-8-4-5-9-18-13)16(23)21-17(26-27(24)25)11-6-2-1-3-7-11/h1-10,17H,(H2-,19,20,21,22,23,24,25)/p+1
InChIKeyUTAFXDMAZMLLKY-UHFFFAOYSA-O
MW385.30 g/mol
LogP1.93
Rot. Bonds6

About hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium

hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium (PubChem CID 118218438) has the molecular formula C17H14N4O5P+ and a molecular weight of 385.30 g/mol. Its IUPAC name is hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium
PubChem CID118218438
Molecular FormulaC17H14N4O5P+
Molecular Weight385.30 g/mol
Exact Mass385.07
IUPAC Namehydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium
SMILESO=C(NC(O[P+](=O)O)c1ccccc1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H13N4O5P/c22-15-12(10-19-14(20-15)13-8-4-5-9-18-13)16(23)21-17(26-27(24)25)11-6-2-1-3-7-11/h1-10,17H,(H2-,19,20,21,22,23,24,25)/p+1
InChIKeyUTAFXDMAZMLLKY-UHFFFAOYSA-O
XLogP1.93
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butane;hydroxy-oxo-[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenoxy]phosphanium
CID 89462711
hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium
CID 89462761
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 97119846
6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide
CID 97116942
ethoxy-[(R)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phosphinic acid
CID 71547334
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
hydroxy-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]-oxophosphanium
CID 71537024
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70752204
5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 137037001
ethyl 3-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-1,2-oxazole-5-carboxylate
CID 89470833
6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
CID 72869433

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium (CID 118218438) is hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium is O=C(NC(O[P+](=O)O)c1ccccc1)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium?
The InChIKey is UTAFXDMAZMLLKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13N4O5P/c22-15-12(10-19-14(20-15)13-8-4-5-9-18-13)16(23)21-17(26-27(24)25)11-6-2-1-3-7-11/h1-10,17H,(H2-,19,20,21,22,23,24,25)/p+1.
What are the key properties of hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium?
hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium has a molecular weight of 385.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium is sourced from PubChem (CID 118218438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).