N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine

C12H19N5 — CID 56730366

IUPACN-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)Nc1ncnc2c(C)nn(CC)c12
InChIInChI=1S/C12H19N5/c1-5-8(3)15-12-11-10(13-7-14-12)9(4)16-17(11)6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyBBCXNRUNTBOLPP-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.37
Rot. Bonds4

About N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine

N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 56730366) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID56730366
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)Nc1ncnc2c(C)nn(CC)c12
InChIInChI=1S/C12H19N5/c1-5-8(3)15-12-11-10(13-7-14-12)9(4)16-17(11)6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyBBCXNRUNTBOLPP-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine (CID 56730366) is N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine is CCC(C)Nc1ncnc2c(C)nn(CC)c12.
What is the InChIKey of N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BBCXNRUNTBOLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-8(3)15-12-11-10(13-7-14-12)9(4)16-17(11)6-2/h7-8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 233.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 56730366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).