2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide

C23H27N5O — CID 109265368

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-11-12-21(17(4)13-19)27-23-24-14-18(15-25-23)22(29)26-20-10-8-7-9-16(20)3/h7-15H,5-6H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyVZRUOKSBOCXMDA-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.94
Rot. Bonds7

About 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265368) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265368
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-11-12-21(17(4)13-19)27-23-24-14-18(15-25-23)22(29)26-20-10-8-7-9-16(20)3/h7-15H,5-6H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyVZRUOKSBOCXMDA-UHFFFAOYSA-N
XLogP4.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.94
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

N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265368) is 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide is CCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is VZRUOKSBOCXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-5-28(6-2)19-11-12-21(17(4)13-19)27-23-24-14-18(15-25-23)22(29)26-20-10-8-7-9-16(20)3/h7-15H,5-6H2,1-4H3,(H,26,29)(H,24,25,27).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).