1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

C24H31N3O4 — CID 1379444

IUPAC1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C24H31N3O4/c1-31-20-14-12-17(13-15-20)25-16-21-22(28)26(18-8-4-2-5-9-18)24(30)27(23(21)29)19-10-6-3-7-11-19/h12-16,18-19,28H,2-11H2,1H3/b25-16+
InChIKeyTUELLLIYLRRNFW-PCLIKHOPSA-N
MW425.53 g/mol
LogP4.49
Rot. Bonds5

About 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1379444) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1379444
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C24H31N3O4/c1-31-20-14-12-17(13-15-20)25-16-21-22(28)26(18-8-4-2-5-9-18)24(30)27(23(21)29)19-10-6-3-7-11-19/h12-16,18-19,28H,2-11H2,1H3/b25-16+
InChIKeyTUELLLIYLRRNFW-PCLIKHOPSA-N
XLogP4.49
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1379444) is 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1.
What is the InChIKey of 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is TUELLLIYLRRNFW-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-31-20-14-12-17(13-15-20)25-16-21-22(28)26(18-8-4-2-5-9-18)24(30)27(23(21)29)19-10-6-3-7-11-19/h12-16,18-19,28H,2-11H2,1H3/b25-16+.
What are the key properties of 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1379444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).