2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

C20H18ClFN4O — CID 109257489

IUPAC2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C20H18ClFN4O/c21-18-4-2-1-3-15(18)11-24-20-25-12-16(13-26-20)19(27)23-10-9-14-5-7-17(22)8-6-14/h1-8,12-13H,9-11H2,(H,23,27)(H,24,25,26)
InChIKeyWIOYQPZWJBPWNW-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.85
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109257489) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109257489
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C20H18ClFN4O/c21-18-4-2-1-3-15(18)11-24-20-25-12-16(13-26-20)19(27)23-10-9-14-5-7-17(22)8-6-14/h1-8,12-13H,9-11H2,(H,23,27)(H,24,25,26)
InChIKeyWIOYQPZWJBPWNW-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
6-[(2-chlorophenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109156772
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109257489) is 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is O=C(NCCc1ccc(F)cc1)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is WIOYQPZWJBPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-18-4-2-1-3-15(18)11-24-20-25-12-16(13-26-20)19(27)23-10-9-14-5-7-17(22)8-6-14/h1-8,12-13H,9-11H2,(H,23,27)(H,24,25,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).