2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

C16H20FN5O — CID 109252869

IUPAC2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN5O/c1-22(2)8-7-18-16-20-10-13(11-21-16)15(23)19-9-12-3-5-14(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyNGZKFIFNALKCND-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.52
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109252869) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109252869
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN5O/c1-22(2)8-7-18-16-20-10-13(11-21-16)15(23)19-9-12-3-5-14(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyNGZKFIFNALKCND-UHFFFAOYSA-N
XLogP1.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109252869) is 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is CN(C)CCNc1ncc(C(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is NGZKFIFNALKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-22(2)8-7-18-16-20-10-13(11-21-16)15(23)19-9-12-3-5-14(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).