1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H30N4O4 — CID 3734626

IUPAC1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-2-15(20-8-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)14-6-4-3-5-7-14/h14,25H,2-13H2,1H3,(H,21,24,26)/b20-15+
InChIKeyNPCDYMHHNBKIHJ-HMMYKYKNSA-N
MW378.47 g/mol
LogP1.28
Rot. Bonds6

About 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3734626) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3734626
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-2-15(20-8-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)14-6-4-3-5-7-14/h14,25H,2-13H2,1H3,(H,21,24,26)/b20-15+
InChIKeyNPCDYMHHNBKIHJ-HMMYKYKNSA-N
XLogP1.28
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3734626) is 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is NPCDYMHHNBKIHJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-2-15(20-8-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)14-6-4-3-5-7-14/h14,25H,2-13H2,1H3,(H,21,24,26)/b20-15+.
What are the key properties of 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 378.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3734626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).