N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine

C14H11F3N6O — CID 130309397

IUPACN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
SMILESFc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F
InChIInChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20)
InChIKeyVADZTQIJDPWXPG-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.41
Rot. Bonds6

About N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine

N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine (PubChem CID 130309397) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
PubChem CID130309397
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
SMILESFc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F
InChIInChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20)
InChIKeyVADZTQIJDPWXPG-UHFFFAOYSA-N
XLogP2.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine 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

Anisiflupurin
CID 25169483
(9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-Pyridine
CID 57339840
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
CID 658874
N-[3-[4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
CID 9803699
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(3,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 10110112
4-(2,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-(trifluoromethyl)pyrimidine
CID 10134174
N-(3-methoxyphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347072
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 14722195
4-(3-Methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732443
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine (CID 130309397) is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine is Fc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F.
What is the InChIKey of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is VADZTQIJDPWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20).
What are the key properties of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 130309397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).