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

C16H21N4O2P — CID 20772056

IUPAC2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCc1ccnc(Nc2cccc(NC(=O)CP(C)(C)=O)c2)n1
InChIInChI=1S/C16H21N4O2P/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/h5-10H,4,11H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyFJPRUSLVEQAWEX-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.34
Rot. Bonds6

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

2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 20772056) has the molecular formula C16H21N4O2P and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID20772056
Molecular FormulaC16H21N4O2P
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCc1ccnc(Nc2cccc(NC(=O)CP(C)(C)=O)c2)n1
InChIInChI=1S/C16H21N4O2P/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/h5-10H,4,11H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyFJPRUSLVEQAWEX-UHFFFAOYSA-N
XLogP3.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 20772055
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-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 11674510
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-cyano-N-[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]acetamide
CID 59491552
3,3-dimethyl-N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]butanamide
CID 71472549
N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893767
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide (CID 20772056) is 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide is CCc1ccnc(Nc2cccc(NC(=O)CP(C)(C)=O)c2)n1.
What is the InChIKey of 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is FJPRUSLVEQAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N4O2P/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/h5-10H,4,11H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide?
2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 332.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 20772056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).