6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide

C17H20F2N4O — CID 112846999

IUPAC6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C17H20F2N4O/c1-4-5-8-23(3)16-10-15(20-11(2)21-16)17(24)22-14-7-6-12(18)9-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,24)
InChIKeyROAVTMSRHAZYIO-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.55
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112846999) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112846999
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C17H20F2N4O/c1-4-5-8-23(3)16-10-15(20-11(2)21-16)17(24)22-14-7-6-12(18)9-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,24)
InChIKeyROAVTMSRHAZYIO-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365139
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112846999) is 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2ccc(F)cc2F)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is ROAVTMSRHAZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-4-5-8-23(3)16-10-15(20-11(2)21-16)17(24)22-14-7-6-12(18)9-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,24).
What are the key properties of 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).