6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide

C17H22N4O — CID 109353413

IUPAC6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)17(22)15-10-16(19-11-18-15)20-14-8-12(3)7-13(4)9-14/h7-11H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyDGDNQAONBQUIPP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.32
Rot. Bonds5

About 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109353413) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109353413
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)17(22)15-10-16(19-11-18-15)20-14-8-12(3)7-13(4)9-14/h7-11H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyDGDNQAONBQUIPP-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353435
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353389
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide (CID 109353413) is 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is DGDNQAONBQUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(6-2)17(22)15-10-16(19-11-18-15)20-14-8-12(3)7-13(4)9-14/h7-11H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide?
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109353413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).