2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H36N4O2Si — CID 135946643

IUPAC2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)[Si](c1ncc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)o1)(C(C)C)C(C)C
InChIInChI=1S/C26H36N4O2Si/c1-17(2)33(18(3)4,19(5)6)26-27-14-21(32-26)15-30-13-12-23-22(16-30)25(31)29-24(28-23)20-10-8-7-9-11-20/h7-11,14,17-19H,12-13,15-16H2,1-6H3,(H,28,29,31)
InChIKeyNCTFENJCDBWBPY-UHFFFAOYSA-N
MW464.69 g/mol
LogP4.87
Rot. Bonds7

About 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946643) has the molecular formula C26H36N4O2Si and a molecular weight of 464.69 g/mol. Its IUPAC name is 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946643
Molecular FormulaC26H36N4O2Si
Molecular Weight464.69 g/mol
Exact Mass464.26
IUPAC Name2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)[Si](c1ncc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)o1)(C(C)C)C(C)C
InChIInChI=1S/C26H36N4O2Si/c1-17(2)33(18(3)4,19(5)6)26-27-14-21(32-26)15-30-13-12-23-22(16-30)25(31)29-24(28-23)20-10-8-7-9-11-20/h7-11,14,17-19H,12-13,15-16H2,1-6H3,(H,28,29,31)
InChIKeyNCTFENJCDBWBPY-UHFFFAOYSA-N
XLogP4.87
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-bromofuran-2-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862395
5-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861438
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(5-bromo-2-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945183
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944103
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945123
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(2-ethylpyrazol-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944583
6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579
2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946083
6-[(2,6-dimethoxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917331

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946643) is 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)[Si](c1ncc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)o1)(C(C)C)C(C)C.
What is the InChIKey of 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NCTFENJCDBWBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2Si/c1-17(2)33(18(3)4,19(5)6)26-27-14-21(32-26)15-30-13-12-23-22(16-30)25(31)29-24(28-23)20-10-8-7-9-11-20/h7-11,14,17-19H,12-13,15-16H2,1-6H3,(H,28,29,31).
What are the key properties of 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 464.69 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).