6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide

C22H25N5O — CID 112853763

IUPAC6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-27(2)15-9-14-23-22(28)19-16-20(24-18-12-7-4-8-13-18)26-21(25-19)17-10-5-3-6-11-17/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyMEPJGIFHIKOLOU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.57
Rot. Bonds8

About 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide

6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853763) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853763
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-27(2)15-9-14-23-22(28)19-16-20(24-18-12-7-4-8-13-18)26-21(25-19)17-10-5-3-6-11-17/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyMEPJGIFHIKOLOU-UHFFFAOYSA-N
XLogP3.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851443
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide (CID 112853763) is 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MEPJGIFHIKOLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-27(2)15-9-14-23-22(28)19-16-20(24-18-12-7-4-8-13-18)26-21(25-19)17-10-5-3-6-11-17/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,23,28)(H,24,25,26).
What are the key properties of 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide?
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).