4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

C20H25N3O3 — CID 92564183

IUPAC4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H25N3O3/c1-11-22-19(24)16(20(25)23-11)10-21-18-15-5-3-4-14(15)17(18)12-6-8-13(26-2)9-7-12/h6-9,14-15,17-18,21H,3-5,10H2,1-2H3,(H2,22,23,24,25)/t14-,15+,17+,18+/m0/s1
InChIKeyUURDELLDFCUTPC-BURFUSLBSA-N
MW355.44 g/mol
LogP2.46
Rot. Bonds5

About 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 92564183) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID92564183
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H25N3O3/c1-11-22-19(24)16(20(25)23-11)10-21-18-15-5-3-4-14(15)17(18)12-6-8-13(26-2)9-7-12/h6-9,14-15,17-18,21H,3-5,10H2,1-2H3,(H2,22,23,24,25)/t14-,15+,17+,18+/m0/s1
InChIKeyUURDELLDFCUTPC-BURFUSLBSA-N
XLogP2.46
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one 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 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 92564183) is 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is COc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2c(O)nc(C)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UURDELLDFCUTPC-BURFUSLBSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-11-22-19(24)16(20(25)23-11)10-21-18-15-5-3-4-14(15)17(18)12-6-8-13(26-2)9-7-12/h6-9,14-15,17-18,21H,3-5,10H2,1-2H3,(H2,22,23,24,25)/t14-,15+,17+,18+/m0/s1.
What are the key properties of 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 355.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[[(1S,5R,6R,7S)-7-(4-methoxyphenyl)-6-bicyclo[3.2.0]heptanyl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 92564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).