6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide

C22H25N5O — CID 112847912

IUPAC6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-18(12-14-19)26-22(28)20-15-21(24-16(3)23-20)25-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyHXPARZHVDWZLQB-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.63
Rot. Bonds7

About 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide

6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 112847912) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
PubChem CID112847912
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-18(12-14-19)26-22(28)20-15-21(24-16(3)23-20)25-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyHXPARZHVDWZLQB-UHFFFAOYSA-N
XLogP4.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.63
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

1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide
CID 122296731
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide (CID 112847912) is 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(Nc3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is HXPARZHVDWZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-18(12-14-19)26-22(28)20-15-21(24-16(3)23-20)25-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).