N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide

C22H23N5O — CID 109356484

IUPACN-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22(28)20-15-21(24-16-23-20)25-17-9-11-19(12-10-17)27-13-5-6-14-27/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,24,25)
InChIKeyZRJILHWHISHSKR-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide

N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109356484) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109356484
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22(28)20-15-21(24-16-23-20)25-17-9-11-19(12-10-17)27-13-5-6-14-27/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,24,25)
InChIKeyZRJILHWHISHSKR-UHFFFAOYSA-N
XLogP4.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
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

6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356024
N-(3-methylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356172
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109356484) is N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide is CN(C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZRJILHWHISHSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22(28)20-15-21(24-16-23-20)25-17-9-11-19(12-10-17)27-13-5-6-14-27/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,24,25).
What are the key properties of N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).