6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione

C8H16N4O2 — CID 90923805

IUPAC6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CN1C(=O)CC(N)(N)NC1=O
InChIInChI=1S/C8H16N4O2/c1-5(2)4-12-6(13)3-8(9,10)11-7(12)14/h5H,3-4,9-10H2,1-2H3,(H,11,14)
InChIKeyYNNOCBKAYZNBNE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.84
Rot. Bonds2

About 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione

6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 90923805) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione
PubChem CID90923805
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CN1C(=O)CC(N)(N)NC1=O
InChIInChI=1S/C8H16N4O2/c1-5(2)4-12-6(13)3-8(9,10)11-7(12)14/h5H,3-4,9-10H2,1-2H3,(H,11,14)
InChIKeyYNNOCBKAYZNBNE-UHFFFAOYSA-N
XLogP-0.84
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione (CID 90923805) is 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione is CC(C)CN1C(=O)CC(N)(N)NC1=O.
What is the InChIKey of 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is YNNOCBKAYZNBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(2)4-12-6(13)3-8(9,10)11-7(12)14/h5H,3-4,9-10H2,1-2H3,(H,11,14).
What are the key properties of 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione?
6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diamino-3-(2-methylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 90923805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).