N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide

C15H16Cl2N4O — CID 109262569

IUPACN-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-8-10(9-19-15)14(22)20-13-7-11(16)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,20,22)
InChIKeyVVLDHHZZMCQIOX-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.88
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide

N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide (PubChem CID 109262569) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
PubChem CID109262569
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-8-10(9-19-15)14(22)20-13-7-11(16)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,20,22)
InChIKeyVVLDHHZZMCQIOX-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262564
5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 48692385
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide (CID 109262569) is N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide is CCN(CC)c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide?
The InChIKey is VVLDHHZZMCQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-8-10(9-19-15)14(22)20-13-7-11(16)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide?
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).