1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione

C9H10N4O2 — CID 166552762

IUPAC1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
SMILESNc1cc(N2CCC(=O)NC2=O)ccn1
InChIInChI=1S/C9H10N4O2/c10-7-5-6(1-3-11-7)13-4-2-8(14)12-9(13)15/h1,3,5H,2,4H2,(H2,10,11)(H,12,14,15)
InChIKeyAIACUZFPAVPPMT-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.11
Rot. Bonds1

About 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione

1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione (PubChem CID 166552762) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
PubChem CID166552762
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
SMILESNc1cc(N2CCC(=O)NC2=O)ccn1
InChIInChI=1S/C9H10N4O2/c10-7-5-6(1-3-11-7)13-4-2-8(14)12-9(13)15/h1,3,5H,2,4H2,(H2,10,11)(H,12,14,15)
InChIKeyAIACUZFPAVPPMT-UHFFFAOYSA-N
XLogP0.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione (CID 166552762) is 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione is Nc1cc(N2CCC(=O)NC2=O)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione?
The InChIKey is AIACUZFPAVPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-7-5-6(1-3-11-7)13-4-2-8(14)12-9(13)15/h1,3,5H,2,4H2,(H2,10,11)(H,12,14,15).
What are the key properties of 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione?
1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166552762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).