2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide

C14H15FN4O — CID 133298322

IUPAC2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1cc(NCCNC(=O)c2ccccc2F)ncn1
InChIInChI=1S/C14H15FN4O/c1-10-8-13(19-9-18-10)16-6-7-17-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyQSXUCVDHBLGYLW-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.77
Rot. Bonds5

About 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide

2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 133298322) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID133298322
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1cc(NCCNC(=O)c2ccccc2F)ncn1
InChIInChI=1S/C14H15FN4O/c1-10-8-13(19-9-18-10)16-6-7-17-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyQSXUCVDHBLGYLW-UHFFFAOYSA-N
XLogP1.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.77
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

4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
CID 133300301
N-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]-2-fluorobenzamide
CID 133468407
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133271470
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
2-(difluoromethylsulfonyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122290885
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide (CID 133298322) is 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1cc(NCCNC(=O)c2ccccc2F)ncn1.
What is the InChIKey of 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is QSXUCVDHBLGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-10-8-13(19-9-18-10)16-6-7-17-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide?
2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 274.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133298322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).