6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide

C16H19Cl2N5O — CID 109345006

IUPAC6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)7-3-6-19-16(24)14-9-15(21-10-20-14)22-13-8-11(17)4-5-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyKQYUZELGFKIKDH-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.21
Rot. Bonds7

About 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide

6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (PubChem CID 109345006) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
PubChem CID109345006
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)7-3-6-19-16(24)14-9-15(21-10-20-14)22-13-8-11(17)4-5-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyKQYUZELGFKIKDH-UHFFFAOYSA-N
XLogP3.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
methyl 3-[[6-(butylcarbamoyl)pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 109340147
methyl 4-chloro-3-[[6-(pentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109354582
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (CID 109345006) is 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1cc(Nc2cc(Cl)ccc2Cl)ncn1.
What is the InChIKey of 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The InChIKey is KQYUZELGFKIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-23(2)7-3-6-19-16(24)14-9-15(21-10-20-14)22-13-8-11(17)4-5-12(13)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109345006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).