N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide

C19H15ClF2N4O — CID 109370065

IUPACN-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C19H15ClF2N4O/c1-11-24-17(19(27)23-10-12-4-2-3-5-14(12)20)9-18(25-11)26-16-7-6-13(21)8-15(16)22/h2-9H,10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyGXORRDRMHOTGQC-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.39
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109370065) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109370065
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C19H15ClF2N4O/c1-11-24-17(19(27)23-10-12-4-2-3-5-14(12)20)9-18(25-11)26-16-7-6-13(21)8-15(16)22/h2-9H,10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyGXORRDRMHOTGQC-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369908
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369728
6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368652
6-(2,4-difluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372241

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 109370065) is N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GXORRDRMHOTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c1-11-24-17(19(27)23-10-12-4-2-3-5-14(12)20)9-18(25-11)26-16-7-6-13(21)8-15(16)22/h2-9H,10H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).