5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

C19H24N4O3 — CID 3708390

IUPAC5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/C3CCCCC3N)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H24N4O3/c1-11-7-8-13(9-12(11)2)23-18(25)14(17(24)22-19(23)26)10-21-16-6-4-3-5-15(16)20/h7-10,15-16,25H,3-6,20H2,1-2H3,(H,22,24,26)/b21-10+
InChIKeyGUUIMTSXSRKBRP-UFFVCSGVSA-N
MW356.43 g/mol
LogP1.54
Rot. Bonds3

About 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 3708390) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID3708390
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/C3CCCCC3N)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H24N4O3/c1-11-7-8-13(9-12(11)2)23-18(25)14(17(24)22-19(23)26)10-21-16-6-4-3-5-15(16)20/h7-10,15-16,25H,3-6,20H2,1-2H3,(H,22,24,26)/b21-10+
InChIKeyGUUIMTSXSRKBRP-UFFVCSGVSA-N
XLogP1.54
TPSA113.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 3708390) is 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/C3CCCCC3N)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GUUIMTSXSRKBRP-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-7-8-13(9-12(11)2)23-18(25)14(17(24)22-19(23)26)10-21-16-6-4-3-5-15(16)20/h7-10,15-16,25H,3-6,20H2,1-2H3,(H,22,24,26)/b21-10+.
What are the key properties of 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3708390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).