8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C20H16F2N6 — CID 142427007

IUPAC8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C2CC2)n1
InChIInChI=1S/C20H16F2N6/c1-10-6-12(7-16(25-10)11-2-3-11)17-18(14-5-4-13(21)8-15(14)22)26-20(23)28-9-24-27-19(17)28/h4-9,11H,2-3H2,1H3,(H2,23,26)
InChIKeyDXXWIWISMMUYCS-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.90
Rot. Bonds3

About 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 142427007) has the molecular formula C20H16F2N6 and a molecular weight of 378.39 g/mol. Its IUPAC name is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID142427007
Molecular FormulaC20H16F2N6
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C2CC2)n1
InChIInChI=1S/C20H16F2N6/c1-10-6-12(7-16(25-10)11-2-3-11)17-18(14-5-4-13(21)8-15(14)22)26-20(23)28-9-24-27-19(17)28/h4-9,11H,2-3H2,1H3,(H2,23,26)
InChIKeyDXXWIWISMMUYCS-UHFFFAOYSA-N
XLogP3.90
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Related Compounds

Adipiplon
CID 11198924
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 142427007) is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C2CC2)n1.
What is the InChIKey of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is DXXWIWISMMUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6/c1-10-6-12(7-16(25-10)11-2-3-11)17-18(14-5-4-13(21)8-15(14)22)26-20(23)28-9-24-27-19(17)28/h4-9,11H,2-3H2,1H3,(H2,23,26).
What are the key properties of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 378.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 142427007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).