N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5 — CID 80726784

IUPACN-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1ncc2c(NCC)nc(C)nc21
InChIInChI=1S/C11H17N5/c1-4-6-16-11-9(7-13-16)10(12-5-2)14-8(3)15-11/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyFZQTTWDSRZEQFW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726784) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726784
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1ncc2c(NCC)nc(C)nc21
InChIInChI=1S/C11H17N5/c1-4-6-16-11-9(7-13-16)10(12-5-2)14-8(3)15-11/h7H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyFZQTTWDSRZEQFW-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726784) is N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCn1ncc2c(NCC)nc(C)nc21.
What is the InChIKey of N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FZQTTWDSRZEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-6-16-11-9(7-13-16)10(12-5-2)14-8(3)15-11/h7H,4-6H2,1-3H3,(H,12,14,15).
What are the key properties of N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).