1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione

C18H25N5O3 — CID 3697065

IUPAC1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-13(20-8-5-10-22-11-9-19-12-22)15-16(24)21-18(26)23(17(15)25)14-6-3-2-4-7-14/h9,11-12,14,25H,2-8,10H2,1H3,(H,21,24,26)/b20-13+
InChIKeyULXBIQYFNBKZSD-DEDYPNTBSA-N
MW359.43 g/mol
LogP1.84
Rot. Bonds6

About 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione (PubChem CID 3697065) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione
PubChem CID3697065
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O3/c1-13(20-8-5-10-22-11-9-19-12-22)15-16(24)21-18(26)23(17(15)25)14-6-3-2-4-7-14/h9,11-12,14,25H,2-8,10H2,1H3,(H,21,24,26)/b20-13+
InChIKeyULXBIQYFNBKZSD-DEDYPNTBSA-N
XLogP1.84
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione (CID 3697065) is 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione is C/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is ULXBIQYFNBKZSD-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13(20-8-5-10-22-11-9-19-12-22)15-16(24)21-18(26)23(17(15)25)14-6-3-2-4-7-14/h9,11-12,14,25H,2-8,10H2,1H3,(H,21,24,26)/b20-13+.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3697065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).