N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109303825

IUPACN-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-19(26-21)20(27)24-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyGWPCUUFOJADHTP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.45
Rot. Bonds5

About N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide

N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide (PubChem CID 109303825) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
PubChem CID109303825
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-19(26-21)20(27)24-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyGWPCUUFOJADHTP-UHFFFAOYSA-N
XLogP4.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
ethyl 4-[[4-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303879
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109304137
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide (CID 109303825) is N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide is CC(C)(C)c1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide?
The InChIKey is GWPCUUFOJADHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-19(26-21)20(27)24-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide?
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).