6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

C20H28FN3O2Si — CID 71232258

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(CO[Si](C)(C)C(C)(C)C)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C20H28FN3O2Si/c1-14-23-17(13-26-27(5,6)20(2,3)4)11-18(24-14)19(25)22-12-15-8-7-9-16(21)10-15/h7-11H,12-13H2,1-6H3,(H,22,25)
InChIKeyZPKQOXIOTVZGBF-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.38
Rot. Bonds6

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 71232258) has the molecular formula C20H28FN3O2Si and a molecular weight of 389.55 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID71232258
Molecular FormulaC20H28FN3O2Si
Molecular Weight389.55 g/mol
Exact Mass389.19
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(CO[Si](C)(C)C(C)(C)C)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C20H28FN3O2Si/c1-14-23-17(13-26-27(5,6)20(2,3)4)11-18(24-14)19(25)22-12-15-8-7-9-16(21)10-15/h7-11H,12-13H2,1-6H3,(H,22,25)
InChIKeyZPKQOXIOTVZGBF-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 71232261
N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide
CID 123600878
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 125498611
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methylcarbamic acid
CID 68910061
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 71232258) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(CO[Si](C)(C)C(C)(C)C)cc(C(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZPKQOXIOTVZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2Si/c1-14-23-17(13-26-27(5,6)20(2,3)4)11-18(24-14)19(25)22-12-15-8-7-9-16(21)10-15/h7-11H,12-13H2,1-6H3,(H,22,25).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 389.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 71232258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).