2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine

C8H11N7 — CID 90969157

IUPAC2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESCN(C)c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H11N7/c1-15(2)8-11-3-4-5(9)12-7(10)13-6(4)14-8/h3H,1-2H3,(H4,9,10,11,12,13,14)
InChIKeyXWFJLLVHALFZID-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.35
Rot. Bonds1

About 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine

2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine (PubChem CID 90969157) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine
PubChem CID90969157
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESCN(C)c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H11N7/c1-15(2)8-11-3-4-5(9)12-7(10)13-6(4)14-8/h3H,1-2H3,(H4,9,10,11,12,13,14)
InChIKeyXWFJLLVHALFZID-UHFFFAOYSA-N
XLogP-0.35
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine (CID 90969157) is 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine is CN(C)c1ncc2c(N)nc(N)nc2n1.
What is the InChIKey of 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The InChIKey is XWFJLLVHALFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-15(2)8-11-3-4-5(9)12-7(10)13-6(4)14-8/h3H,1-2H3,(H4,9,10,11,12,13,14).
What are the key properties of 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine?
2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine has a molecular weight of 205.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethylpyrimido[4,5-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 90969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).