hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium

C24H20N4O4P+ — CID 89462761

IUPAChydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium
SMILESO=C(NC(c1ccccc1)c1ccc(C[P+](=O)O)cc1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C24H19N4O4P/c29-23(19-14-26-22(28-24(19)30)20-8-4-5-13-25-20)27-21(17-6-2-1-3-7-17)18-11-9-16(10-12-18)15-33(31)32/h1-14,21H,15H2,(H2-,26,27,28,29,30,31,32)/p+1
InChIKeyDMBZNAVQUUYKRU-UHFFFAOYSA-O
MW459.42 g/mol
LogP3.59
Rot. Bonds7

About hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium

hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium (PubChem CID 89462761) has the molecular formula C24H20N4O4P+ and a molecular weight of 459.42 g/mol. Its IUPAC name is hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium
PubChem CID89462761
Molecular FormulaC24H20N4O4P+
Molecular Weight459.42 g/mol
Exact Mass459.12
IUPAC Namehydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium
SMILESO=C(NC(c1ccccc1)c1ccc(C[P+](=O)O)cc1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C24H19N4O4P/c29-23(19-14-26-22(28-24(19)30)20-8-4-5-13-25-20)27-21(17-6-2-1-3-7-17)18-11-9-16(10-12-18)15-33(31)32/h1-14,21H,15H2,(H2-,26,27,28,29,30,31,32)/p+1
InChIKeyDMBZNAVQUUYKRU-UHFFFAOYSA-O
XLogP3.59
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethoxy]phosphanium
CID 118218438
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
ethyl 3-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-1,2-oxazole-5-carboxylate
CID 89470833
hydroxy-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]-oxophosphanium
CID 71537024
N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 123951022
N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 89464424
5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 90341537
ethoxy-[(R)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phosphinic acid
CID 71547334
5-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-2-hydroxy-2-methyl-5-oxopentanoic acid
CID 148748647
6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70770534

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium?
The IUPAC name of hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium (CID 89462761) is hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium is O=C(NC(c1ccccc1)c1ccc(C[P+](=O)O)cc1)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium?
The InChIKey is DMBZNAVQUUYKRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19N4O4P/c29-23(19-14-26-22(28-24(19)30)20-8-4-5-13-25-20)27-21(17-6-2-1-3-7-17)18-11-9-16(10-12-18)15-33(31)32/h1-14,21H,15H2,(H2-,26,27,28,29,30,31,32)/p+1.
What are the key properties of hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium?
hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium has a molecular weight of 459.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[[4-[[(6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]methyl]phosphanium is sourced from PubChem (CID 89462761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).