6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine

C12H17N5 — CID 158554533

IUPAC6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(C(C)(C)C)nc(C)c2n1
InChIInChI=1S/C12H17N5/c1-6-8-9(10(13)16-7(2)15-8)17-11(14-6)12(3,4)5/h1-5H3,(H2,13,15,16)
InChIKeyFAUHOUCHYYARQY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds

About 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine

6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 158554533) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID158554533
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(C(C)(C)C)nc(C)c2n1
InChIInChI=1S/C12H17N5/c1-6-8-9(10(13)16-7(2)15-8)17-11(14-6)12(3,4)5/h1-5H3,(H2,13,15,16)
InChIKeyFAUHOUCHYYARQY-UHFFFAOYSA-N
XLogP1.92
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine (CID 158554533) is 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine is Cc1nc(N)c2nc(C(C)(C)C)nc(C)c2n1.
What is the InChIKey of 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is FAUHOUCHYYARQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-6-8-9(10(13)16-7(2)15-8)17-11(14-6)12(3,4)5/h1-5H3,(H2,13,15,16).
What are the key properties of 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine?
6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158554533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).