N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide

C8H7F4N3O3 — CID 54194358

IUPACN-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C8H7F4N3O3/c1-3(16)13-8-14-4(17-6(9)10)2-5(15-8)18-7(11)12/h2,6-7H,1H3,(H,13,14,15,16)
InChIKeyPKTHPBMMRKOLLM-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.64
Rot. Bonds5

About N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide

N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide (PubChem CID 54194358) has the molecular formula C8H7F4N3O3 and a molecular weight of 269.15 g/mol. Its IUPAC name is N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide
PubChem CID54194358
Molecular FormulaC8H7F4N3O3
Molecular Weight269.15 g/mol
Exact Mass269.04
IUPAC NameN-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C8H7F4N3O3/c1-3(16)13-8-14-4(17-6(9)10)2-5(15-8)18-7(11)12/h2,6-7H,1H3,(H,13,14,15,16)
InChIKeyPKTHPBMMRKOLLM-UHFFFAOYSA-N
XLogP1.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4,6-bis(difluoromethoxy)pyrimidin-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-Amino-4,6-dimethoxypyrimidine
CID 118946
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 2384448
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2-Amino-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 4334263
Pyrimidine, 2-isocyanato-4,6-dimethoxy-
CID 11789825
1,3-Bis(4,6-dimethoxypyrimidin-2-yl)urea
CID 22403852

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide (CID 54194358) is N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide?
The InChIKey is PKTHPBMMRKOLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O3/c1-3(16)13-8-14-4(17-6(9)10)2-5(15-8)18-7(11)12/h2,6-7H,1H3,(H,13,14,15,16).
What are the key properties of N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide?
N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide has a molecular weight of 269.15 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 54194358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).