5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C19H18N4O3 — CID 1423350

IUPAC5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cccnc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-2-15(21-12-13-7-6-10-20-11-13)16-17(24)22-19(26)23(18(16)25)14-8-4-3-5-9-14/h3-11,25H,2,12H2,1H3,(H,22,24,26)/b21-15+
InChIKeyAJLMAOFKFLLPBO-RCCKNPSSSA-N
MW350.38 g/mol
LogP2.03
Rot. Bonds5

About 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 1423350) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID1423350
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cccnc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-2-15(21-12-13-7-6-10-20-11-13)16-17(24)22-19(26)23(18(16)25)14-8-4-3-5-9-14/h3-11,25H,2,12H2,1H3,(H,22,24,26)/b21-15+
InChIKeyAJLMAOFKFLLPBO-RCCKNPSSSA-N
XLogP2.03
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 1423350) is 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is CC/C(=N\Cc1cccnc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is AJLMAOFKFLLPBO-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-15(21-12-13-7-6-10-20-11-13)16-17(24)22-19(26)23(18(16)25)14-8-4-3-5-9-14/h3-11,25H,2,12H2,1H3,(H,22,24,26)/b21-15+.
What are the key properties of 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 1423350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).