5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H25N5 — CID 56996863

IUPAC5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)N1CN(C(C)(C)C)C(N)c2cn[nH]c21
InChIInChI=1S/C13H25N5/c1-12(2,3)17-8-18(13(4,5)6)11-9(10(17)14)7-15-16-11/h7,10H,8,14H2,1-6H3,(H,15,16)
InChIKeyYDXWSAVKTRLJFX-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.04
Rot. Bonds

About 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56996863) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56996863
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)N1CN(C(C)(C)C)C(N)c2cn[nH]c21
InChIInChI=1S/C13H25N5/c1-12(2,3)17-8-18(13(4,5)6)11-9(10(17)14)7-15-16-11/h7,10H,8,14H2,1-6H3,(H,15,16)
InChIKeyYDXWSAVKTRLJFX-UHFFFAOYSA-N
XLogP2.04
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 56996863) is 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)(C)N1CN(C(C)(C)C)C(N)c2cn[nH]c21.
What is the InChIKey of 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YDXWSAVKTRLJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-12(2,3)17-8-18(13(4,5)6)11-9(10(17)14)7-15-16-11/h7,10H,8,14H2,1-6H3,(H,15,16).
What are the key properties of 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56996863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).