2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H24N4O — CID 109303969

IUPAC2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C22H24N4O/c1-15(2)18-10-6-7-11-19(18)25-21(27)20-12-13-23-22(26-20)24-14-17-9-5-4-8-16(17)3/h4-13,15H,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyIUKXXRNYUBCHRT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.77
Rot. Bonds6

About 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109303969) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109303969
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C22H24N4O/c1-15(2)18-10-6-7-11-19(18)25-21(27)20-12-13-23-22(26-20)24-14-17-9-5-4-8-16(17)3/h4-13,15H,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyIUKXXRNYUBCHRT-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109303969) is 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C(C)C)n1.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IUKXXRNYUBCHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)18-10-6-7-11-19(18)25-21(27)20-12-13-23-22(26-20)24-14-17-9-5-4-8-16(17)3/h4-13,15H,14H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).