2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C19H16ClFN4O2 — CID 109336903

IUPAC2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-6-4-13(21)5-7-14)25-19(22-11)24-15-10-12(20)3-8-17(15)27-2/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyCOWJZAGEECQEIC-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336903) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336903
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-6-4-13(21)5-7-14)25-19(22-11)24-15-10-12(20)3-8-17(15)27-2/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyCOWJZAGEECQEIC-UHFFFAOYSA-N
XLogP4.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109336903) is 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1nc(C)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is COWJZAGEECQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-6-4-13(21)5-7-14)25-19(22-11)24-15-10-12(20)3-8-17(15)27-2/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).