N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide

C15H19N3O2 — CID 112532811

IUPACN-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide
SMILESCC(C)(C)c1ncncc1CNC(=O)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)14-11(8-16-10-18-14)9-17-13(19)7-12-5-4-6-20-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,19)
InChIKeyPWBDDTFRMMIOET-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds4

About N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide

N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide (PubChem CID 112532811) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide
PubChem CID112532811
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide
SMILESCC(C)(C)c1ncncc1CNC(=O)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)14-11(8-16-10-18-14)9-17-13(19)7-12-5-4-6-20-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,19)
InChIKeyPWBDDTFRMMIOET-UHFFFAOYSA-N
XLogP2.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
CID 97007740
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571
5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 131974169
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
N-(furan-2-ylmethyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686247
2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536394
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide (CID 112532811) is N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide is CC(C)(C)c1ncncc1CNC(=O)Cc1ccco1.
What is the InChIKey of N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide?
The InChIKey is PWBDDTFRMMIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)14-11(8-16-10-18-14)9-17-13(19)7-12-5-4-6-20-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide?
N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 112532811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).