6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C18H22Cl2N4O — CID 109373410

IUPAC6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCc2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C18H22Cl2N4O/c1-4-24(5-2)18(25)16-11-17(23-12(3)22-16)21-9-8-13-6-7-14(19)10-15(13)20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,22,23)
InChIKeyUJNIKIPIUVUARC-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.23
Rot. Bonds7

About 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373410) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373410
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCc2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C18H22Cl2N4O/c1-4-24(5-2)18(25)16-11-17(23-12(3)22-16)21-9-8-13-6-7-14(19)10-15(13)20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,22,23)
InChIKeyUJNIKIPIUVUARC-UHFFFAOYSA-N
XLogP4.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362953
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088909
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109373410) is 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(NCCc2ccc(Cl)cc2Cl)nc(C)n1.
What is the InChIKey of 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is UJNIKIPIUVUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-4-24(5-2)18(25)16-11-17(23-12(3)22-16)21-9-8-13-6-7-14(19)10-15(13)20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,22,23).
What are the key properties of 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).