5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione

C10H8N4O2 — CID 745142

IUPAC5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C10H8N4O2/c15-9-8(6-13-10(16)14-9)12-5-7-2-1-3-11-4-7/h1-6H,(H2,13,14,15,16)/b12-5+
InChIKeyLIYDZORDLWQLIQ-LFYBBSHMSA-N
MW216.20 g/mol
LogP0.21
Rot. Bonds2

About 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione

5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione (PubChem CID 745142) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
PubChem CID745142
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C10H8N4O2/c15-9-8(6-13-10(16)14-9)12-5-7-2-1-3-11-4-7/h1-6H,(H2,13,14,15,16)/b12-5+
InChIKeyLIYDZORDLWQLIQ-LFYBBSHMSA-N
XLogP0.21
TPSA90.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione (CID 745142) is 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(/N=C/c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The InChIKey is LIYDZORDLWQLIQ-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-9-8(6-13-10(16)14-9)12-5-7-2-1-3-11-4-7/h1-6H,(H2,13,14,15,16)/b12-5+.
What are the key properties of 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 745142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).