6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

C21H23N5O — CID 109356981

IUPAC6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1C
InChIInChI=1S/C21H23N5O/c1-14-5-6-17(11-15(14)2)25-21(27)19-12-20(23-13-22-19)24-16-7-9-18(10-8-16)26(3)4/h5-13H,1-4H3,(H,25,27)(H,22,23,24)
InChIKeyDTWJHGARNPYOPF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds5

About 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356981) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356981
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1C
InChIInChI=1S/C21H23N5O/c1-14-5-6-17(11-15(14)2)25-21(27)19-12-20(23-13-22-19)24-16-7-9-18(10-8-16)26(3)4/h5-13H,1-4H3,(H,25,27)(H,22,23,24)
InChIKeyDTWJHGARNPYOPF-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788
N-(3-chloro-4-fluorophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109358564
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109359576
6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356981) is 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1C.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DTWJHGARNPYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-5-6-17(11-15(14)2)25-21(27)19-12-20(23-13-22-19)24-16-7-9-18(10-8-16)26(3)4/h5-13H,1-4H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).