N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide

C24H30N6O2 — CID 46897831

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cncnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N6O2/c1-23(2,3)17-7-9-18(10-8-17)30(22(32)19-13-27-15-28-19)20(16-11-25-14-26-12-16)21(31)29-24(4,5)6/h7-15,20H,1-6H3,(H,27,28)(H,29,31)
InChIKeyQJQKIPGAULWYQK-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 46897831) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide
PubChem CID46897831
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cncnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N6O2/c1-23(2,3)17-7-9-18(10-8-17)30(22(32)19-13-27-15-28-19)20(16-11-25-14-26-12-16)21(31)29-24(4,5)6/h7-15,20H,1-6H3,(H,27,28)(H,29,31)
InChIKeyQJQKIPGAULWYQK-UHFFFAOYSA-N
XLogP3.80
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide (CID 46897831) is N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide is CC(C)(C)NC(=O)C(c1cncnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is QJQKIPGAULWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-23(2,3)17-7-9-18(10-8-17)30(22(32)19-13-27-15-28-19)20(16-11-25-14-26-12-16)21(31)29-24(4,5)6/h7-15,20H,1-6H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-5-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 46897831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).