3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

C11H14BrF2N5 — CID 56805549

IUPAC3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CC(F)F)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C11H14BrF2N5/c1-3-4-19(5-7(13)14)11-8-9(12)17-18(2)10(8)15-6-16-11/h6-7H,3-5H2,1-2H3
InChIKeyPIRNNAJKLPMOQG-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.61
Rot. Bonds5

About 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56805549) has the molecular formula C11H14BrF2N5 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56805549
Molecular FormulaC11H14BrF2N5
Molecular Weight334.17 g/mol
Exact Mass333.04
IUPAC Name3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CC(F)F)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C11H14BrF2N5/c1-3-4-19(5-7(13)14)11-8-9(12)17-18(2)10(8)15-6-16-11/h6-7H,3-5H2,1-2H3
InChIKeyPIRNNAJKLPMOQG-UHFFFAOYSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56805549) is 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CC(F)F)c1ncnc2c1c(Br)nn2C.
What is the InChIKey of 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PIRNNAJKLPMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N5/c1-3-4-19(5-7(13)14)11-8-9(12)17-18(2)10(8)15-6-16-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.17 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-difluoroethyl)-1-methyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56805549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).