2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide

C19H24Cl2N4O — CID 109264539

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C19H24Cl2N4O/c1-3-9-25(10-4-2)18(26)15-12-23-19(24-13-15)22-8-7-14-5-6-16(20)11-17(14)21/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23,24)
InChIKeyMGIBADJBTKLDCQ-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.70
Rot. Bonds9

About 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide

2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109264539) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID109264539
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C19H24Cl2N4O/c1-3-9-25(10-4-2)18(26)15-12-23-19(24-13-15)22-8-7-14-5-6-16(20)11-17(14)21/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23,24)
InChIKeyMGIBADJBTKLDCQ-UHFFFAOYSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.70
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,N-dipropyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246750
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185349
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide (CID 109264539) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is MGIBADJBTKLDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-3-9-25(10-4-2)18(26)15-12-23-19(24-13-15)22-8-7-14-5-6-16(20)11-17(14)21/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).