6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C16H18F2N4O — CID 109373516

IUPAC6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C16H18F2N4O/c1-4-22(5-2)16(23)13-9-14(20-10(3)19-13)21-15-11(17)7-6-8-12(15)18/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyUFBCUOJIPLVLEP-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.29
Rot. Bonds5

About 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373516) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373516
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C16H18F2N4O/c1-4-22(5-2)16(23)13-9-14(20-10(3)19-13)21-15-11(17)7-6-8-12(15)18/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyUFBCUOJIPLVLEP-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,6-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109364617
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109373516) is 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2c(F)cccc2F)nc(C)n1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is UFBCUOJIPLVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-4-22(5-2)16(23)13-9-14(20-10(3)19-13)21-15-11(17)7-6-8-12(15)18/h6-9H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).