6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

C15H16F3N9 — CID 155413686

IUPAC6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cnc(C(F)(F)F)cn3)nc(NCC3(N)CC3)nc21
InChIInChI=1S/C15H16F3N9/c1-27-12-8(4-23-27)11(25-13(26-12)22-7-14(19)2-3-14)24-10-6-20-9(5-21-10)15(16,17)18/h4-6H,2-3,7,19H2,1H3,(H2,21,22,24,25,26)
InChIKeyBIFPREDHWAQGAM-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.82
Rot. Bonds5

About 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413686) has the molecular formula C15H16F3N9 and a molecular weight of 379.35 g/mol. Its IUPAC name is 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413686
Molecular FormulaC15H16F3N9
Molecular Weight379.35 g/mol
Exact Mass379.15
IUPAC Name6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cnc(C(F)(F)F)cn3)nc(NCC3(N)CC3)nc21
InChIInChI=1S/C15H16F3N9/c1-27-12-8(4-23-27)11(25-13(26-12)22-7-14(19)2-3-14)24-10-6-20-9(5-21-10)15(16,17)18/h4-6H,2-3,7,19H2,1H3,(H2,21,22,24,25,26)
InChIKeyBIFPREDHWAQGAM-UHFFFAOYSA-N
XLogP1.82
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413686) is 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(Nc3cnc(C(F)(F)F)cn3)nc(NCC3(N)CC3)nc21.
What is the InChIKey of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is BIFPREDHWAQGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N9/c1-27-12-8(4-23-27)11(25-13(26-12)22-7-14(19)2-3-14)24-10-6-20-9(5-21-10)15(16,17)18/h4-6H,2-3,7,19H2,1H3,(H2,21,22,24,25,26).
What are the key properties of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 379.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).