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

C25H30N4O3 — CID 154732765

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccncn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H30N4O3/c1-24(2,3)17-9-11-18(12-10-17)29(23(31)20-8-7-15-32-20)21(19-13-14-26-16-27-19)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
InChIKeyAVBMZTFEHFFYPA-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.67
Rot. Bonds5

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

N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (PubChem CID 154732765) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
PubChem CID154732765
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccncn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H30N4O3/c1-24(2,3)17-9-11-18(12-10-17)29(23(31)20-8-7-15-32-20)21(19-13-14-26-16-27-19)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)
InChIKeyAVBMZTFEHFFYPA-UHFFFAOYSA-N
XLogP4.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
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-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide (CID 154732765) is N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is CC(C)(C)NC(=O)C(c1ccncn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
The InChIKey is AVBMZTFEHFFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-24(2,3)17-9-11-18(12-10-17)29(23(31)20-8-7-15-32-20)21(19-13-14-26-16-27-19)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyrimidin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 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-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide is sourced from PubChem (CID 154732765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).