N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

C18H22ClFN4O — CID 109334146

IUPACN-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H22ClFN4O/c1-4-8-24(9-5-2)18-21-12(3)10-16(23-18)17(25)22-13-6-7-15(20)14(19)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,25)
InChIKeyGXEYLXBNASYAEF-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.46
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334146) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109334146
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H22ClFN4O/c1-4-8-24(9-5-2)18-21-12(3)10-16(23-18)17(25)22-13-6-7-15(20)14(19)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,25)
InChIKeyGXEYLXBNASYAEF-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109334170
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109328910
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320915
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109337344
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (CID 109334146) is N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is GXEYLXBNASYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c1-4-8-24(9-5-2)18-21-12(3)10-16(23-18)17(25)22-13-6-7-15(20)14(19)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).