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

C15H17F2N5O — CID 109344386

IUPAC6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C15H17F2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-12-4-3-10(16)7-11(12)17/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyCWMKVOCUESUVSX-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.79
Rot. Bonds6

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

6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109344386) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109344386
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C15H17F2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-12-4-3-10(16)7-11(12)17/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyCWMKVOCUESUVSX-UHFFFAOYSA-N
XLogP1.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.79
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-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379
5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109344386) is 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccc(F)cc2F)ncn1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is CWMKVOCUESUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-22(2)6-5-18-15(23)13-8-14(20-9-19-13)21-12-4-3-10(16)7-11(12)17/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).