2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine

C12H16N6Se2 — CID 102030348

IUPAC2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc([Se][Se]c2nccc(N(C)C)n2)n1
InChIInChI=1S/C12H16N6Se2/c1-17(2)9-5-7-13-11(15-9)19-20-12-14-8-6-10(16-12)18(3)4/h5-8H,1-4H3
InChIKeyMSBQOWVJPBOBIF-UHFFFAOYSA-N
MW402.22 g/mol
LogP-1.33
Rot. Bonds5

About 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine

2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 102030348) has the molecular formula C12H16N6Se2 and a molecular weight of 402.22 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine
PubChem CID102030348
Molecular FormulaC12H16N6Se2
Molecular Weight402.22 g/mol
Exact Mass403.98
IUPAC Name2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc([Se][Se]c2nccc(N(C)C)n2)n1
InChIInChI=1S/C12H16N6Se2/c1-17(2)9-5-7-13-11(15-9)19-20-12-14-8-6-10(16-12)18(3)4/h5-8H,1-4H3
InChIKeyMSBQOWVJPBOBIF-UHFFFAOYSA-N
XLogP-1.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine (CID 102030348) is 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc([Se][Se]c2nccc(N(C)C)n2)n1.
What is the InChIKey of 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is MSBQOWVJPBOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6Se2/c1-17(2)9-5-7-13-11(15-9)19-20-12-14-8-6-10(16-12)18(3)4/h5-8H,1-4H3.
What are the key properties of 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine?
2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 402.22 g/mol, XLogP of -1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)pyrimidin-2-yl]diselanyl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102030348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).