potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide

C16H20KN4O2P — CID 20772055

IUPACpotassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCc1ccnc(Nc2cccc(NC(=O)[CH-]P(C)(C)=O)c2)n1.[K+]
InChIInChI=1S/C16H20N4O2P.K/c1-4-12-8-9-17-16(19-12)20-14-7-5-6-13(10-14)18-15(21)11-23(2,3)22;/h5-11H,4H2,1-3H3,(H,18,21)(H,17,19,20);/q-1;+1
InChIKeyALHRWPUYSONNEY-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.51
Rot. Bonds6

About potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide

potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 20772055) has the molecular formula C16H20KN4O2P and a molecular weight of 370.43 g/mol. Its IUPAC name is potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Namepotassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID20772055
Molecular FormulaC16H20KN4O2P
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namepotassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCc1ccnc(Nc2cccc(NC(=O)[CH-]P(C)(C)=O)c2)n1.[K+]
InChIInChI=1S/C16H20N4O2P.K/c1-4-12-8-9-17-16(19-12)20-14-7-5-6-13(10-14)18-15(21)11-23(2,3)22;/h5-11H,4H2,1-3H3,(H,18,21)(H,17,19,20);/q-1;+1
InChIKeyALHRWPUYSONNEY-UHFFFAOYSA-N
XLogP0.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 20772056
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
ethane;N-ethylethanamine;N-[3-(pyrimidin-2-ylamino)phenyl]benzamide
CID 91174490
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816
2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109312376
N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893767
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
CID 114206914

Frequently Asked Questions

What is the IUPAC name of potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide (CID 20772055) is potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide is CCc1ccnc(Nc2cccc(NC(=O)[CH-]P(C)(C)=O)c2)n1.[K+].
What is the InChIKey of potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is ALHRWPUYSONNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2P.K/c1-4-12-8-9-17-16(19-12)20-14-7-5-6-13(10-14)18-15(21)11-23(2,3)22;/h5-11H,4H2,1-3H3,(H,18,21)(H,17,19,20);/q-1;+1.
What are the key properties of potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 20772055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).