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

C19H24N4O3 — CID 3838014

IUPAC1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/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/h6-7,10-11,14,25H,2-5,8-9,12H2,1H3,(H,22,24,26)/b21-15+
InChIKeyZIZXXIYJLYPVAO-RCCKNPSSSA-N
MW356.43 g/mol
LogP2.54
Rot. Bonds5

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

1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3838014) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3838014
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/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/h6-7,10-11,14,25H,2-5,8-9,12H2,1H3,(H,22,24,26)/b21-15+
InChIKeyZIZXXIYJLYPVAO-RCCKNPSSSA-N
XLogP2.54
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.54
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 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3838014) is 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\Cc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZIZXXIYJLYPVAO-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H24N4O3/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/h6-7,10-11,14,25H,2-5,8-9,12H2,1H3,(H,22,24,26)/b21-15+.
What are the key properties of 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3838014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).