3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione

C8H17N5O2 — CID 21400335

IUPAC3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1NC(=O)N(C(C)(C)N)C(=O)N1
InChIInChI=1S/C8H17N5O2/c1-8(2,9)13-6(14)10-5(12(3)4)11-7(13)15/h5H,9H2,1-4H3,(H,10,14)(H,11,15)
InChIKeyVAAUCNCIAYXPKH-UHFFFAOYSA-N
MW215.26 g/mol
LogP-0.74
Rot. Bonds2

About 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione

3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione (PubChem CID 21400335) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione
PubChem CID21400335
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione
SMILESCN(C)C1NC(=O)N(C(C)(C)N)C(=O)N1
InChIInChI=1S/C8H17N5O2/c1-8(2,9)13-6(14)10-5(12(3)4)11-7(13)15/h5H,9H2,1-4H3,(H,10,14)(H,11,15)
InChIKeyVAAUCNCIAYXPKH-UHFFFAOYSA-N
XLogP-0.74
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione (CID 21400335) is 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione is CN(C)C1NC(=O)N(C(C)(C)N)C(=O)N1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione?
The InChIKey is VAAUCNCIAYXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c1-8(2,9)13-6(14)10-5(12(3)4)11-7(13)15/h5H,9H2,1-4H3,(H,10,14)(H,11,15).
What are the key properties of 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione?
3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione has a molecular weight of 215.26 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 21400335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).