2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide

C17H21ClN4O — CID 109261431

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-10-9-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyPWXXTZWDVWJTSC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109261431) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109261431
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-10-9-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyPWXXTZWDVWJTSC-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254031
2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109264539
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide (CID 109261431) is 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is PWXXTZWDVWJTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-10-9-13-5-7-15(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109261431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).