2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C22H24N4O — CID 109373582

IUPAC2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C)cc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-9-6-7-13-19(16)26-21-15-20(24-17(2)25-21)22(27)23-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyWYJRBGXMIWACDD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.20
Rot. Bonds7

About 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109373582) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109373582
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C)cc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-9-6-7-13-19(16)26-21-15-20(24-17(2)25-21)22(27)23-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyWYJRBGXMIWACDD-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373601
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109364575
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109373582) is 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C)cc(C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is WYJRBGXMIWACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-9-6-7-13-19(16)26-21-15-20(24-17(2)25-21)22(27)23-14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).