N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide

C17H21FN4O — CID 109257290

IUPACN-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C17H21FN4O/c1-3-4-9-22(2)16(23)14-11-20-17(21-12-14)19-10-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyLRKBFIZNINVOGO-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.10
Rot. Bonds7

About N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide

N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide (PubChem CID 109257290) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
PubChem CID109257290
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C17H21FN4O/c1-3-4-9-22(2)16(23)14-11-20-17(21-12-14)19-10-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyLRKBFIZNINVOGO-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide (CID 109257290) is N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is LRKBFIZNINVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-4-9-22(2)16(23)14-11-20-17(21-12-14)19-10-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109257290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).