6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

C15H17Cl2N5O — CID 109344392

IUPAC6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C15H17Cl2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-10-3-4-11(16)12(17)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyVWZRAOHVGCSHSD-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.82
Rot. Bonds6

About 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109344392) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109344392
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C15H17Cl2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-10-3-4-11(16)12(17)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyVWZRAOHVGCSHSD-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109344392) is 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is VWZRAOHVGCSHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-10-3-4-11(16)12(17)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).