2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide

C17H21ClN4O — CID 109262350

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-9-8-13-6-5-7-15(18)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20,21)
InChIKeyYZGGQJARXFVXNI-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262350) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262350
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-9-8-13-6-5-7-15(18)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20,21)
InChIKeyYZGGQJARXFVXNI-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-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109264539
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide (CID 109262350) is 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is YZGGQJARXFVXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-22(4-2)16(23)14-11-20-17(21-12-14)19-9-8-13-6-5-7-15(18)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide?
2-[2-(3-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-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).