N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C22H25N5O — CID 109330424

IUPACN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-15-20(21(28)25-18-9-11-19(12-10-18)27(2)3)26-22(24-16)23-14-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyUVKBXLRFQBLDDS-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.76
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109330424) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109330424
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-15-20(21(28)25-18-9-11-19(12-10-18)27(2)3)26-22(24-16)23-14-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyUVKBXLRFQBLDDS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109311005
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109330424) is N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is UVKBXLRFQBLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-15-20(21(28)25-18-9-11-19(12-10-18)27(2)3)26-22(24-16)23-14-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).