N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

C22H25N5O — CID 109336288

IUPACN-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-5-16-6-8-18(9-7-16)25-22-23-15(2)14-20(26-22)21(28)24-17-10-12-19(13-11-17)27(3)4/h6-14H,5H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyBYYAFYYKBHMBIW-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.41
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336288) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336288
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-5-16-6-8-18(9-7-16)25-22-23-15(2)14-20(26-22)21(28)24-17-10-12-19(13-11-17)27(3)4/h6-14H,5H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyBYYAFYYKBHMBIW-UHFFFAOYSA-N
XLogP4.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.41
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

2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336621
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109337344
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336288) is N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BYYAFYYKBHMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-5-16-6-8-18(9-7-16)25-22-23-15(2)14-20(26-22)21(28)24-17-10-12-19(13-11-17)27(3)4/h6-14H,5H2,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).