N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide

C23H27N5O — CID 109315291

IUPACN-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-12-10-18(11-13-19)25-22(29)20-14-15-24-23(26-20)27-21-16(3)8-7-9-17(21)4/h7-15H,5-6H2,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyLOXPUALVOMCOIC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.94
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide

N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315291) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109315291
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-12-10-18(11-13-19)25-22(29)20-14-15-24-23(26-20)27-21-16(3)8-7-9-17(21)4/h7-15H,5-6H2,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyLOXPUALVOMCOIC-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

methyl 4-[[2-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315289
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
N-(3,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109315964
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide (CID 109315291) is N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is LOXPUALVOMCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-5-28(6-2)19-12-10-18(11-13-19)25-22(29)20-14-15-24-23(26-20)27-21-16(3)8-7-9-17(21)4/h7-15H,5-6H2,1-4H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-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 N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).