6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C19H16ClFN4O — CID 109348442

IUPAC6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H16ClFN4O/c1-12-2-5-14(20)8-16(12)25-18-9-17(23-11-24-18)19(26)22-10-13-3-6-15(21)7-4-13/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHXBYYUQXNALJER-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.25
Rot. Bonds5

About 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348442) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348442
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H16ClFN4O/c1-12-2-5-14(20)8-16(12)25-18-9-17(23-11-24-18)19(26)22-10-13-3-6-15(21)7-4-13/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHXBYYUQXNALJER-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338945
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348414
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348442) is 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HXBYYUQXNALJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-2-5-14(20)8-16(12)25-18-9-17(23-11-24-18)19(26)22-10-13-3-6-15(21)7-4-13/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).