6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

C20H18ClFN4O — CID 109369908

IUPAC6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c1-12-16(21)4-3-5-17(12)26-19-10-18(24-13(2)25-19)20(27)23-11-14-6-8-15(22)9-7-14/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeySPCQAUXWVVMEIO-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.56
Rot. Bonds5

About 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369908) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109369908
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c1-12-16(21)4-3-5-17(12)26-19-10-18(24-13(2)25-19)20(27)23-11-14-6-8-15(22)9-7-14/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeySPCQAUXWVVMEIO-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
methyl 3-[[6-[(4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369929
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850219
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109369908) is 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is SPCQAUXWVVMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-12-16(21)4-3-5-17(12)26-19-10-18(24-13(2)25-19)20(27)23-11-14-6-8-15(22)9-7-14/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).