6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

C16H25N5 — CID 19136920

IUPAC6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCN(C)c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N
InChIInChI=1S/C16H25N5/c1-21(2)15-13(17)14(18-9-19-15)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8,17H2,1-2H3,(H,18,19,20)
InChIKeyWGTSGPLEONNVIO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds3

About 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (PubChem CID 19136920) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
PubChem CID19136920
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCN(C)c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N
InChIInChI=1S/C16H25N5/c1-21(2)15-13(17)14(18-9-19-15)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8,17H2,1-2H3,(H,18,19,20)
InChIKeyWGTSGPLEONNVIO-UHFFFAOYSA-N
XLogP2.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (CID 19136920) is 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is CN(C)c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N.
What is the InChIKey of 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The InChIKey is WGTSGPLEONNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-21(2)15-13(17)14(18-9-19-15)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8,17H2,1-2H3,(H,18,19,20).
What are the key properties of 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine has a molecular weight of 287.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-adamantyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).