2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde

C10H17N5O3 — CID 173382658

IUPAC2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde
SMILES[H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC=O
InChIInChI=1S/C10H17N5O3/c1-14(2)4-5-15-9(17)7(12-3-6-16)8(11)13-10(15)18/h6-7,12H,3-5H2,1-2H3,(H2,11,13,18)
InChIKeyMCGCYQVSGJQTMM-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.77
Rot. Bonds6

About 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde

2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde (PubChem CID 173382658) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde
PubChem CID173382658
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde
SMILES[H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC=O
InChIInChI=1S/C10H17N5O3/c1-14(2)4-5-15-9(17)7(12-3-6-16)8(11)13-10(15)18/h6-7,12H,3-5H2,1-2H3,(H2,11,13,18)
InChIKeyMCGCYQVSGJQTMM-UHFFFAOYSA-N
XLogP-1.77
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde (CID 173382658) is 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde is [H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC=O.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde?
The InChIKey is MCGCYQVSGJQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14(2)4-5-15-9(17)7(12-3-6-16)8(11)13-10(15)18/h6-7,12H,3-5H2,1-2H3,(H2,11,13,18).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde?
2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde has a molecular weight of 255.28 g/mol, XLogP of -1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde is sourced from PubChem (CID 173382658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).