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

C22H25N5O — CID 109313491

IUPAC2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)18-11-12-19(16(3)15-18)25-21(28)20-13-14-23-22(26-20)24-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyQQLNKYYLTIUVEH-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.63
Rot. Bonds7

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

2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (PubChem CID 109313491) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
PubChem CID109313491
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)18-11-12-19(16(3)15-18)25-21(28)20-13-14-23-22(26-20)24-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyQQLNKYYLTIUVEH-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

N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307014
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (CID 109313491) is 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The InChIKey is QQLNKYYLTIUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)18-11-12-19(16(3)15-18)25-21(28)20-13-14-23-22(26-20)24-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-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 2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109313491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).