6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione

C16H25N3O4 — CID 135956361

IUPAC6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/C[C@]2(C)C[C@H](O)CC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N3O4/c1-15(2)5-10(20)6-16(3,8-15)9-17-7-11-12(21)18-14(23)19(4)13(11)22/h7,10,20,22H,5-6,8-9H2,1-4H3,(H,18,21,23)/b17-7+/t10-,16-/m1/s1
InChIKeyYMKHEXWOVIMONH-SSMNJZPVSA-N
MW323.39 g/mol
LogP0.78
Rot. Bonds3

About 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione

6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 135956361) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione
PubChem CID135956361
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/C[C@]2(C)C[C@H](O)CC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N3O4/c1-15(2)5-10(20)6-16(3,8-15)9-17-7-11-12(21)18-14(23)19(4)13(11)22/h7,10,20,22H,5-6,8-9H2,1-4H3,(H,18,21,23)/b17-7+/t10-,16-/m1/s1
InChIKeyYMKHEXWOVIMONH-SSMNJZPVSA-N
XLogP0.78
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione (CID 135956361) is 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/C[C@]2(C)C[C@H](O)CC(C)(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is YMKHEXWOVIMONH-SSMNJZPVSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-15(2)5-10(20)6-16(3,8-15)9-17-7-11-12(21)18-14(23)19(4)13(11)22/h7,10,20,22H,5-6,8-9H2,1-4H3,(H,18,21,23)/b17-7+/t10-,16-/m1/s1.
What are the key properties of 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione?
6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyliminomethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 135956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).