2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide

C15H17FN4O — CID 133300301

IUPAC2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCc1cc(NCCNC(=O)Cc2cccc(F)c2)ncn1
InChIInChI=1S/C15H17FN4O/c1-11-7-14(20-10-19-11)17-5-6-18-15(21)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBAOCKTINWQVWDH-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide

2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 133300301) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID133300301
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCc1cc(NCCNC(=O)Cc2cccc(F)c2)ncn1
InChIInChI=1S/C15H17FN4O/c1-11-7-14(20-10-19-11)17-5-6-18-15(21)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBAOCKTINWQVWDH-UHFFFAOYSA-N
XLogP1.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298322
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(3-methylphenyl)acetamide
CID 122290839
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297094
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide (CID 133300301) is 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide is Cc1cc(NCCNC(=O)Cc2cccc(F)c2)ncn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is BAOCKTINWQVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-7-14(20-10-19-11)17-5-6-18-15(21)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 288.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 133300301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).