N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide

C16H19FN4O — CID 132549675

IUPACN-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
SMILESCN(C)c1ncc(CCCNC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-10-12(11-20-16)4-3-9-18-15(22)13-5-7-14(17)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22)
InChIKeyXJPUGCBHUJNANQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.04
Rot. Bonds6

About N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide

N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide (PubChem CID 132549675) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
PubChem CID132549675
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
SMILESCN(C)c1ncc(CCCNC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-10-12(11-20-16)4-3-9-18-15(22)13-5-7-14(17)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22)
InChIKeyXJPUGCBHUJNANQ-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide (CID 132549675) is N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide is CN(C)c1ncc(CCCNC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?
The InChIKey is XJPUGCBHUJNANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-21(2)16-19-10-12(11-20-16)4-3-9-18-15(22)13-5-7-14(17)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22).
What are the key properties of N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide?
N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide has a molecular weight of 302.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide is sourced from PubChem (CID 132549675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).