6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C20H19FN4O3 — CID 112849834

IUPAC6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C20H19FN4O3/c1-12-22-17(20(26)25-15-7-5-4-6-14(15)21)11-19(23-12)24-16-10-13(27-2)8-9-18(16)28-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyDBJYETJKYLNXDS-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.94
Rot. Bonds6

About 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849834) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849834
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C20H19FN4O3/c1-12-22-17(20(26)25-15-7-5-4-6-14(15)21)11-19(23-12)24-16-10-13(27-2)8-9-18(16)28-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyDBJYETJKYLNXDS-UHFFFAOYSA-N
XLogP3.94
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849834) is 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DBJYETJKYLNXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-12-22-17(20(26)25-15-7-5-4-6-14(15)21)11-19(23-12)24-16-10-13(27-2)8-9-18(16)28-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).