N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide

C17H22N3O4P — CID 59805822

IUPACN-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCCOP(=O)(CCNC(=O)c1cnc(-c2ccccc2)nc1)OCC
InChIInChI=1S/C17H22N3O4P/c1-3-23-25(22,24-4-2)11-10-18-17(21)15-12-19-16(20-13-15)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyOWSYOIFQSLZUOF-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.14
Rot. Bonds9

About N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide

N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 59805822) has the molecular formula C17H22N3O4P and a molecular weight of 363.35 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID59805822
Molecular FormulaC17H22N3O4P
Molecular Weight363.35 g/mol
Exact Mass363.13
IUPAC NameN-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCCOP(=O)(CCNC(=O)c1cnc(-c2ccccc2)nc1)OCC
InChIInChI=1S/C17H22N3O4P/c1-3-23-25(22,24-4-2)11-10-18-17(21)15-12-19-16(20-13-15)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyOWSYOIFQSLZUOF-UHFFFAOYSA-N
XLogP3.14
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
(2S)-N,N'-bis(2-diethoxyphosphorylethyl)-1,2-diphenylethane-1,2-diamine
CID 58650642
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 139007347

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide (CID 59805822) is N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide is CCOP(=O)(CCNC(=O)c1cnc(-c2ccccc2)nc1)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is OWSYOIFQSLZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N3O4P/c1-3-23-25(22,24-4-2)11-10-18-17(21)15-12-19-16(20-13-15)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide?
N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 59805822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).