6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione

C17H25N3O3 — CID 136882512

IUPAC6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C17H25N3O3/c1-16(2)10-6-7-17(16,3)12(8-10)18-9-11-13(21)19(4)15(23)20(5)14(11)22/h9-10,12,21H,6-8H2,1-5H3/b18-9+/t10-,12-,17-/m1/s1
InChIKeyJFCFRVOIGQNKOF-FPJPMSSPSA-N
MW319.41 g/mol
LogP1.42
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione (PubChem CID 136882512) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
PubChem CID136882512
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C17H25N3O3/c1-16(2)10-6-7-17(16,3)12(8-10)18-9-11-13(21)19(4)15(23)20(5)14(11)22/h9-10,12,21H,6-8H2,1-5H3/b18-9+/t10-,12-,17-/m1/s1
InChIKeyJFCFRVOIGQNKOF-FPJPMSSPSA-N
XLogP1.42
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,3-dimethyl-5-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 135883184
1-(4-chlorophenyl)-6-hydroxy-5-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 136719796
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
CID 137047925
6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
CID 101179925
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 100842725
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-N-methylbenzenesulfonamide
CID 137035533
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
(1R,7S,9S,12R)-4-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,4,6-triazatetracyclo[7.4.0.02,6.07,12]tridecane-3,5-dione
CID 98164138
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione (CID 136882512) is 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione?
The InChIKey is JFCFRVOIGQNKOF-FPJPMSSPSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-16(2)10-6-7-17(16,3)12(8-10)18-9-11-13(21)19(4)15(23)20(5)14(11)22/h9-10,12,21H,6-8H2,1-5H3/b18-9+/t10-,12-,17-/m1/s1.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).