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

C22H25N5O — CID 109265163

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-11-12-20(16(3)13-19)26-22-23-14-17(15-24-22)21(28)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyBSYIOPZFFJRLCZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.63
Rot. Bonds7

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

2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide (PubChem CID 109265163) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
PubChem CID109265163
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-11-12-20(16(3)13-19)26-22-23-14-17(15-24-22)21(28)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyBSYIOPZFFJRLCZ-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

2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide (CID 109265163) is 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide is CCN(CC)c1ccc(Nc2ncc(C(=O)Nc3ccccc3)cn2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is BSYIOPZFFJRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)19-11-12-20(16(3)13-19)26-22-23-14-17(15-24-22)21(28)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide?
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-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-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).