6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine

C10H13N5 — CID 141112690

IUPAC6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ncc2ncnc(N)c2n1
InChIInChI=1S/C10H13N5/c1-10(2,3)9-12-4-6-7(15-9)8(11)14-5-13-6/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyGXOHROKGXDMZCG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.30
Rot. Bonds

About 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine

6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 141112690) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID141112690
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ncc2ncnc(N)c2n1
InChIInChI=1S/C10H13N5/c1-10(2,3)9-12-4-6-7(15-9)8(11)14-5-13-6/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyGXOHROKGXDMZCG-UHFFFAOYSA-N
XLogP1.30
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine (CID 141112690) is 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine is CC(C)(C)c1ncc2ncnc(N)c2n1.
What is the InChIKey of 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is GXOHROKGXDMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-10(2,3)9-12-4-6-7(15-9)8(11)14-5-13-6/h4-5H,1-3H3,(H2,11,13,14).
What are the key properties of 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine?
6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 203.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141112690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).