3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine

C12H16BrN5 — CID 56805541

IUPAC3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=C(C)CN(CC)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C12H16BrN5/c1-5-18(6-8(2)3)12-9-10(13)16-17(4)11(9)14-7-15-12/h7H,2,5-6H2,1,3-4H3
InChIKeyDVNANOYJVPUAHR-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.53
Rot. Bonds4

About 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine

3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56805541) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56805541
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=C(C)CN(CC)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C12H16BrN5/c1-5-18(6-8(2)3)12-9-10(13)16-17(4)11(9)14-7-15-12/h7H,2,5-6H2,1,3-4H3
InChIKeyDVNANOYJVPUAHR-UHFFFAOYSA-N
XLogP2.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 56805541) is 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine is C=C(C)CN(CC)c1ncnc2c1c(Br)nn2C.
What is the InChIKey of 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DVNANOYJVPUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-5-18(6-8(2)3)12-9-10(13)16-17(4)11(9)14-7-15-12/h7H,2,5-6H2,1,3-4H3.
What are the key properties of 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine?
3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56805541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).