1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide

C17H26N4O3 — CID 598906

IUPAC1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-12,22H,1-10H2,(H3,18,19)
InChIKeyLWFKHQKALBEEOQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.01
Rot. Bonds3

About 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide

1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide (PubChem CID 598906) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
PubChem CID598906
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-12,22H,1-10H2,(H3,18,19)
InChIKeyLWFKHQKALBEEOQ-UHFFFAOYSA-N
XLogP2.01
TPSA114.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The IUPAC name of 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide (CID 598906) is 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The canonical SMILES for 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The InChIKey is LWFKHQKALBEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-12,22H,1-10H2,(H3,18,19).
What are the key properties of 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide has a molecular weight of 334.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide is sourced from PubChem (CID 598906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).