2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide

C18H22Cl2N4O — CID 109263983

IUPAC2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-3-4-9-24(2)18-22-11-14(12-23-18)17(25)21-8-7-13-5-6-15(19)10-16(13)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,25)
InChIKeyXYJZXCXDPBVCLQ-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.99
Rot. Bonds8

About 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109263983) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109263983
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-3-4-9-24(2)18-22-11-14(12-23-18)17(25)21-8-7-13-5-6-15(19)10-16(13)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,25)
InChIKeyXYJZXCXDPBVCLQ-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252745
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109264539
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248509
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088909
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109263983) is 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is XYJZXCXDPBVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-3-4-9-24(2)18-22-11-14(12-23-18)17(25)21-8-7-13-5-6-15(19)10-16(13)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,25).
What are the key properties of 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109263983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).