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

C17H15F3N6O2 — CID 130302228

IUPACN-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(COc3nccc(NC4CC4)n3)nn2)cc1OC(F)F
InChIInChI=1S/C17H15F3N6O2/c18-13-4-3-12(7-14(13)28-16(19)20)26-8-11(24-25-26)9-27-17-21-6-5-15(23-17)22-10-1-2-10/h3-8,10,16H,1-2,9H2,(H,21,22,23)
InChIKeyJPOJCPROORNHAF-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.95
Rot. Bonds8

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

N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine (PubChem CID 130302228) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
PubChem CID130302228
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC NameN-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(COc3nccc(NC4CC4)n3)nn2)cc1OC(F)F
InChIInChI=1S/C17H15F3N6O2/c18-13-4-3-12(7-14(13)28-16(19)20)26-8-11(24-25-26)9-27-17-21-6-5-15(23-17)22-10-1-2-10/h3-8,10,16H,1-2,9H2,(H,21,22,23)
InChIKeyJPOJCPROORNHAF-UHFFFAOYSA-N
XLogP2.95
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]-N-methylmethanamine
CID 130309789
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(1-methoxyethyl)pyrimidine
CID 130302296
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(trideuteriomethoxymethyl)pyrimidine
CID 130302330
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(1H-pyrrol-2-yl)pyrimidine
CID 130302278
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-(difluoromethoxy)pyrimidine
CID 130309396
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-5-ol
CID 130320947
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
CID 130309643
2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
CID 130309850
2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-4-(methoxymethyl)pyrimidine
CID 130309723
2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-N,N-dimethylpyrimidin-4-amine
CID 130309851
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302350
[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol
CID 130302323

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine (CID 130302228) is N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine is Fc1ccc(-n2cc(COc3nccc(NC4CC4)n3)nn2)cc1OC(F)F.
What is the InChIKey of N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The InChIKey is JPOJCPROORNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-13-4-3-12(7-14(13)28-16(19)20)26-8-11(24-25-26)9-27-17-21-6-5-15(23-17)22-10-1-2-10/h3-8,10,16H,1-2,9H2,(H,21,22,23).
What are the key properties of N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine has a molecular weight of 392.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 130302228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).