1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione

C26H35N3O5 — CID 3812735

IUPAC1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc(OC)c1
InChIInChI=1S/C26H35N3O5/c1-33-21-13-18(14-22(15-21)34-2)16-27-17-23-24(30)28(19-9-5-3-6-10-19)26(32)29(25(23)31)20-11-7-4-8-12-20/h13-15,17,19-20,30H,3-12,16H2,1-2H3/b27-17+
InChIKeyOKFDADJIRXCJRN-WPWMEQJKSA-N
MW469.58 g/mol
LogP4.36
Rot. Bonds7

About 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione

1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3812735) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3812735
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Name1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc(OC)c1
InChIInChI=1S/C26H35N3O5/c1-33-21-13-18(14-22(15-21)34-2)16-27-17-23-24(30)28(19-9-5-3-6-10-19)26(32)29(25(23)31)20-11-7-4-8-12-20/h13-15,17,19-20,30H,3-12,16H2,1-2H3/b27-17+
InChIKeyOKFDADJIRXCJRN-WPWMEQJKSA-N
XLogP4.36
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 3812735) is 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione is COc1cc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc(OC)c1.
What is the InChIKey of 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is OKFDADJIRXCJRN-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-33-21-13-18(14-22(15-21)34-2)16-27-17-23-24(30)28(19-9-5-3-6-10-19)26(32)29(25(23)31)20-11-7-4-8-12-20/h13-15,17,19-20,30H,3-12,16H2,1-2H3/b27-17+.
What are the key properties of 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 469.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).